 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer05_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-3808.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3813.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210183882 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1131.7838182372 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.09D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  9.08D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:13 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.448443051791    
 DIIS: error= 2.07D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.448443051791     IErMin= 1 ErrMin= 2.07D-03
 ErrMax= 2.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-03 BMatP= 9.46D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.07D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 GapD=    0.294 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.16D-02 MaxDP=6.75D+00              OVMax= 1.39D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.80D-02    CP:  1.24D+00
 E= -767.455837917118     Delta-E=       -0.007394865327 Rises=F Damp=F
 DIIS: error= 3.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.455837917118     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 3.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-04 BMatP= 9.46D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.18D-03
 Coeff-Com: -0.273D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.272D-01 0.103D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=9.13D-03 MaxDP=1.01D+00 DE=-7.39D-03 OVMax= 5.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.09D-03    CP:  1.29D+00  1.14D+00
 E= -767.456011925678     Delta-E=       -0.000174008559 Rises=F Damp=F
 DIIS: error= 3.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.456011925678     IErMin= 3 ErrMin= 3.10D-04
 ErrMax= 3.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-04 BMatP= 2.02D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.10D-03
 Coeff-Com: -0.378D-01 0.524D+00 0.514D+00
 Coeff-En:   0.000D+00 0.258D-01 0.974D+00
 Coeff:     -0.377D-01 0.523D+00 0.515D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=6.32D-04 MaxDP=7.29D-02 DE=-1.74D-04 OVMax= 1.59D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  1.29D+00  1.14D+00  1.09D+00
 E= -767.456149479402     Delta-E=       -0.000137553724 Rises=F Damp=F
 DIIS: error= 6.21D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.456149479402     IErMin= 4 ErrMin= 6.21D-05
 ErrMax= 6.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-06 BMatP= 1.98D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.304D-02-0.223D-01 0.860D-01 0.939D+00
 Coeff:     -0.304D-02-0.223D-01 0.860D-01 0.939D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.25D-04 MaxDP=3.66D-02 DE=-1.38D-04 OVMax= 9.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.69D-05    CP:  1.29D+00  1.15D+00  1.16D+00  1.45D+00
 E= -767.456156708304     Delta-E=       -0.000007228903 Rises=F Damp=F
 DIIS: error= 2.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.456156708304     IErMin= 5 ErrMin= 2.29D-05
 ErrMax= 2.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-06 BMatP= 4.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-02-0.541D-01-0.149D-01 0.384D+00 0.683D+00
 Coeff:      0.201D-02-0.541D-01-0.149D-01 0.384D+00 0.683D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.59D-05 MaxDP=2.51D-03 DE=-7.23D-06 OVMax= 3.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.01D-05    CP:  1.29D+00  1.15D+00  1.17D+00  1.56D+00  1.13D+00
 E= -767.456158051558     Delta-E=       -0.000001343254 Rises=F Damp=F
 DIIS: error= 1.11D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.456158051558     IErMin= 6 ErrMin= 1.11D-05
 ErrMax= 1.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-07 BMatP= 1.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-02-0.217D-01-0.184D-01 0.536D-01 0.310D+00 0.675D+00
 Coeff:      0.133D-02-0.217D-01-0.184D-01 0.536D-01 0.310D+00 0.675D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.83D-05 MaxDP=1.70D-03 DE=-1.34D-06 OVMax= 1.88D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.36D-06    CP:  1.29D+00  1.15D+00  1.17D+00  1.58D+00  1.17D+00
                    CP:  1.18D+00
 E= -767.456158295905     Delta-E=       -0.000000244347 Rises=F Damp=F
 DIIS: error= 5.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.456158295905     IErMin= 7 ErrMin= 5.75D-06
 ErrMax= 5.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-08 BMatP= 1.85D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-03 0.721D-03-0.434D-02-0.476D-01-0.137D-03 0.269D+00
 Coeff-Com:  0.782D+00
 Coeff:      0.194D-03 0.721D-03-0.434D-02-0.476D-01-0.137D-03 0.269D+00
 Coeff:      0.782D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=1.35D-03 DE=-2.44D-07 OVMax= 1.11D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.20D+00
                    CP:  1.23D+00  1.33D+00
 E= -767.456158350978     Delta-E=       -0.000000055073 Rises=F Damp=F
 DIIS: error= 2.15D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.456158350978     IErMin= 8 ErrMin= 2.15D-06
 ErrMax= 2.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-09 BMatP= 2.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-03 0.380D-02 0.210D-02-0.226D-01-0.542D-01-0.465D-01
 Coeff-Com:  0.225D+00 0.892D+00
 Coeff:     -0.164D-03 0.380D-02 0.210D-02-0.226D-01-0.542D-01-0.465D-01
 Coeff:      0.225D+00 0.892D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=4.32D-06 MaxDP=4.07D-04 DE=-5.51D-08 OVMax= 5.87D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.40D-06    CP:  1.29D+00  1.15D+00  1.16D+00  1.59D+00  1.20D+00
                    CP:  1.25D+00  1.38D+00  1.28D+00
 E= -767.456158360075     Delta-E=       -0.000000009097 Rises=F Damp=F
 DIIS: error= 7.90D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.456158360075     IErMin= 9 ErrMin= 7.90D-07
 ErrMax= 7.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-10 BMatP= 3.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.787D-04 0.135D-02 0.125D-02-0.387D-02-0.213D-01-0.484D-01
 Coeff-Com:  0.612D-02 0.366D+00 0.699D+00
 Coeff:     -0.787D-04 0.135D-02 0.125D-02-0.387D-02-0.213D-01-0.484D-01
 Coeff:      0.612D-02 0.366D+00 0.699D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=8.97D-05 DE=-9.10D-09 OVMax= 1.46D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.67D-07    CP:  1.29D+00  1.15D+00  1.16D+00  1.59D+00  1.19D+00
                    CP:  1.24D+00  1.40D+00  1.29D+00  1.13D+00
 E= -767.456158361254     Delta-E=       -0.000000001179 Rises=F Damp=F
 DIIS: error= 2.05D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.456158361254     IErMin=10 ErrMin= 2.05D-07
 ErrMax= 2.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.72D-11 BMatP= 5.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-05-0.248D-03 0.387D-05 0.299D-02 0.360D-02-0.602D-02
 Coeff-Com: -0.404D-01-0.554D-01 0.191D+00 0.904D+00
 Coeff:      0.319D-05-0.248D-03 0.387D-05 0.299D-02 0.360D-02-0.602D-02
 Coeff:     -0.404D-01-0.554D-01 0.191D+00 0.904D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=9.39D-05 DE=-1.18D-09 OVMax= 6.86D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.15D-07    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.19D+00
                    CP:  1.23D+00  1.39D+00  1.30D+00  1.14D+00  1.17D+00
 E= -767.456158361306     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 7.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.456158361306     IErMin=11 ErrMin= 7.34D-08
 ErrMax= 7.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-12 BMatP= 5.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-04-0.248D-03-0.140D-03 0.160D-02 0.364D-02 0.257D-02
 Coeff-Com: -0.165D-01-0.562D-01 0.427D-02 0.349D+00 0.712D+00
 Coeff:      0.100D-04-0.248D-03-0.140D-03 0.160D-02 0.364D-02 0.257D-02
 Coeff:     -0.165D-01-0.562D-01 0.427D-02 0.349D+00 0.712D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=1.92D-05 DE=-5.28D-11 OVMax= 1.49D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.70D-08    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.19D+00
                    CP:  1.23D+00  1.38D+00  1.29D+00  1.15D+00  1.20D+00
                    CP:  1.11D+00
 E= -767.456158361190     Delta-E=        0.000000000116 Rises=F Damp=F
 DIIS: error= 3.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.456158361306     IErMin=12 ErrMin= 3.07D-08
 ErrMax= 3.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.48D-13 BMatP= 8.34D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-05-0.416D-04-0.464D-04 0.683D-04 0.646D-03 0.178D-02
 Coeff-Com:  0.349D-03-0.950D-02-0.261D-01-0.129D-01 0.212D+00 0.834D+00
 Coeff:      0.252D-05-0.416D-04-0.464D-04 0.683D-04 0.646D-03 0.178D-02
 Coeff:      0.349D-03-0.950D-02-0.261D-01-0.129D-01 0.212D+00 0.834D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=4.37D-08 MaxDP=1.78D-06 DE= 1.16D-10 OVMax= 7.89D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.65D-08    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.19D+00
                    CP:  1.23D+00  1.38D+00  1.29D+00  1.14D+00  1.22D+00
                    CP:  1.17D+00  1.06D+00
 E= -767.456158361397     Delta-E=       -0.000000000207 Rises=F Damp=F
 DIIS: error= 2.09D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -767.456158361397     IErMin=13 ErrMin= 2.09D-08
 ErrMax= 2.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-13 BMatP= 8.48D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.419D-06 0.177D-04 0.352D-05-0.175D-03-0.238D-03 0.301D-03
 Coeff-Com:  0.195D-02 0.390D-02-0.928D-02-0.457D-01-0.289D-01 0.267D+00
 Coeff-Com:  0.811D+00
 Coeff:     -0.419D-06 0.177D-04 0.352D-05-0.175D-03-0.238D-03 0.301D-03
 Coeff:      0.195D-02 0.390D-02-0.928D-02-0.457D-01-0.289D-01 0.267D+00
 Coeff:      0.811D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.03D-08 MaxDP=3.01D-06 DE=-2.07D-10 OVMax= 4.02D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.07D-09    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.19D+00
                    CP:  1.23D+00  1.38D+00  1.29D+00  1.14D+00  1.22D+00
                    CP:  1.18D+00  1.12D+00  1.09D+00
 E= -767.456158361286     Delta-E=        0.000000000111 Rises=F Damp=F
 DIIS: error= 6.89D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -767.456158361397     IErMin=14 ErrMin= 6.89D-09
 ErrMax= 6.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-14 BMatP= 1.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.568D-06 0.130D-04 0.943D-05-0.756D-04-0.195D-03-0.185D-03
 Coeff-Com:  0.561D-03 0.299D-02 0.133D-02-0.124D-01-0.479D-01-0.529D-01
 Coeff-Com:  0.291D+00 0.818D+00
 Coeff:     -0.568D-06 0.130D-04 0.943D-05-0.756D-04-0.195D-03-0.185D-03
 Coeff:      0.561D-03 0.299D-02 0.133D-02-0.124D-01-0.479D-01-0.529D-01
 Coeff:      0.291D+00 0.818D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=1.23D-06 DE= 1.11D-10 OVMax= 2.24D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.57D-09    CP:  1.29D+00  1.15D+00  1.16D+00  1.58D+00  1.19D+00
                    CP:  1.23D+00  1.38D+00  1.29D+00  1.14D+00  1.22D+00
                    CP:  1.18D+00  1.13D+00  1.16D+00  1.02D+00
 E= -767.456158361204     Delta-E=        0.000000000082 Rises=F Damp=F
 DIIS: error= 5.73D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -767.456158361397     IErMin=15 ErrMin= 5.73D-09
 ErrMax= 5.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-15 BMatP= 3.02D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.347D-07-0.103D-05 0.156D-05 0.205D-04 0.617D-05-0.105D-03
 Coeff-Com: -0.304D-03-0.186D-03 0.230D-02 0.747D-02-0.560D-02-0.731D-01
 Coeff-Com: -0.117D+00 0.206D+00 0.981D+00
 Coeff:     -0.347D-07-0.103D-05 0.156D-05 0.205D-04 0.617D-05-0.105D-03
 Coeff:     -0.304D-03-0.186D-03 0.230D-02 0.747D-02-0.560D-02-0.731D-01
 Coeff:     -0.117D+00 0.206D+00 0.981D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.14D-09 MaxDP=1.38D-07 DE= 8.23D-11 OVMax= 1.58D-07

 SCF Done:  E(RwB97XD) =  -767.456158361     A.U. after   15 cycles
            NFock= 15  Conv=0.31D-08     -V/T= 2.0058
 KE= 7.630502081705D+02 PE=-4.051182705712D+03 EE= 1.388892520943D+03
 Leave Link  502 at Fri Aug 13 11:13:05 2021, MaxMem=  5368709120 cpu:           12402.5 elap:            1552.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.10112488D+03

 Leave Link  801 at Fri Aug 13 11:13:06 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 5.04D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.20D-01 9.34D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 6.25D-02 1.34D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 8.46D-03 3.96D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.94D-03 1.28D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 2.85D-04 4.22D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 2.04D-05 6.96D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 1.28D-06 1.74D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 5.59D-08 3.56D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.74D-09 6.62D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 5.75D-11 1.13D-06.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 2.35D-12 1.70D-07.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.12D-13 3.01D-08.
      4 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 7.25D-14 1.37D-08.
      2 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 5.29D-14 1.25D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   141 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.312116D+03
      2  0.150671D+02  0.169750D+03
      3  0.116968D+02 -0.374116D+01  0.122206D+03
 Isotropic polarizability for W=    0.088559      201.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.349991D+03 -0.111037D+02 -0.482326D+02
      2   0.143012D+03  0.157543D+02 -0.649397D+01
      3   0.206979D+03 -0.465054D+01  0.547265D+02
      4  -0.189089D+02 -0.148068D+03  0.223274D+02
      5   0.316329D+02  0.209687D+02  0.605830D+02
      6   0.531022D+01  0.463245D+02 -0.242677D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.837180D+01  0.275776D+02  0.720066D+01
      2  -0.475573D+02  0.100203D+02  0.249913D+02
      3   0.945586D+01  0.608654D+02 -0.714297D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.135865D+01  0.528185D+02  0.196171D+02
      2  -0.798655D+02  0.170171D+02 -0.146396D+03
      3  -0.780520D+01  0.291080D+03 -0.156585D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.109898D+01  0.161405D+01 -0.268764D+01
      2   0.161405D+01 -0.350310D+01 -0.337866D+01
      3  -0.268764D+01 -0.337866D+01 -0.309040D+01
 OR G Eigenvalues:    -6.7502    -2.4677     3.7234  Iso=     1.8315
 Eigenvectors:
   (1)   0.102186   0.692393   0.714248
   (2)   0.637365  -0.596839   0.487390
   (3)   0.763756   0.405432  -0.502296
 w=    0.088559 a.u., Optical Rotation Beta=      1.8315 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      403.33 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.56D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.35D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.94D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 4.57D-02 5.44D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 7.16D-03 2.48D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.52D-04 2.42D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 6.00D-06 2.90D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.48D-07 3.89D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 2.41D-09 4.13D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 3.70D-11 4.61D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 4.58D-13 6.32D-08.
     13 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 3.88D-14 1.54D-08.
      6 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 1.44D-14 6.59D-09.
      5 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 1.43D-14 6.05D-09.
      5 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 9.71D-14 1.96D-08.
      3 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 1.01D-14 6.30D-09.
      3 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 6.71D-15 4.48D-09.
      2 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 9.59D-15 6.16D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   307 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312116D+03  0.150671D+02  0.116968D+02
      2   0.150671D+02  0.169750D+03 -0.374116D+01
      3   0.116968D+02 -0.374116D+01  0.122206D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837180D+01  0.275776D+02  0.720066D+01
      2  -0.475573D+02  0.100203D+02  0.249913D+02
      3   0.945586D+01  0.608654D+02 -0.714297D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.349991D+03 -0.111037D+02 -0.482326D+02
      2   0.143012D+03  0.157543D+02 -0.649397D+01
      3   0.206979D+03 -0.465054D+01  0.547265D+02
      4  -0.189089D+02 -0.148068D+03  0.223274D+02
      5   0.316329D+02  0.209687D+02  0.605830D+02
      6   0.531022D+01  0.463245D+02 -0.242677D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.387238D+02  0.822967D+01  0.142400D+01 -0.492583D+02 -0.495633D+01
      2   0.822967D+01  0.358816D+01  0.305808D+00 -0.495633D+01 -0.519218D+01
      3   0.142400D+01  0.305808D+00 -0.354752D+00 -0.279465D+01  0.961735D-01
                 6             7             8             9            10 
      1  -0.279465D+01  0.788157D+01  0.133719D+01  0.182272D+01 -0.299614D+02
      2   0.961735D-01  0.133719D+01  0.622784D+00 -0.106871D+01 -0.650937D+01
      3   0.338751D-01  0.182272D+01 -0.106871D+01  0.391644D+00 -0.970125D+00
                11            12            13            14            15 
      1  -0.650937D+01 -0.970125D+00  0.530147D+02  0.603858D+01  0.315561D+01
      2  -0.598687D+00 -0.285524D+00  0.603858D+01  0.615741D+01 -0.308762D-01
      3  -0.285524D+00 -0.449723D-01  0.315561D+01 -0.308762D-01 -0.228129D+00
                16            17            18            19            20 
      1  -0.800490D+01 -0.128954D+01 -0.907837D+00 -0.522066D+02 -0.104043D+02
      2  -0.128954D+01 -0.528334D+00  0.988335D+00 -0.104043D+02 -0.975642D+01
      3  -0.907837D+00  0.988335D+00 -0.184912D+00 -0.136736D+01  0.398455D+00
                21            22            23            24            25 
      1  -0.136736D+01 -0.157741D+02 -0.190451D+01  0.210161D+00 -0.239944D+01
      2   0.398455D+00 -0.190451D+01 -0.489598D+01 -0.500082D+00  0.242372D+00
      3  -0.523928D+00  0.210161D+00 -0.500082D+00 -0.213218D+01  0.655056D+00
                26            27            28            29            30 
      1   0.242372D+00  0.655056D+00  0.504278D+02  0.417312D+01  0.113067D+01
      2  -0.113650D+01 -0.380516D+01  0.417312D+01  0.619970D+01 -0.295115D-01
      3  -0.380516D+01  0.117305D+01  0.113067D+01 -0.295115D-01  0.228563D+01
                31            32            33            34            35 
      1   0.217758D+01  0.357550D+01  0.611301D+00  0.535811D-01  0.730600D+00
      2   0.357550D+01  0.149282D+02 -0.818495D+00  0.730600D+00 -0.328185D+00
      3   0.611301D+00 -0.818495D+00  0.412099D+00  0.649009D+01  0.725549D+00
                36            37            38            39            40 
      1   0.649009D+01  0.962784D+01 -0.136035D+01  0.531313D+00  0.886868D+01
      2   0.725549D+00 -0.136035D+01  0.127145D+02 -0.996159D+00  0.111524D+01
      3   0.728307D+00  0.531313D+00 -0.996159D+00  0.241384D+01  0.441486D+00
                41            42            43            44            45 
      1   0.111524D+01  0.441486D+00 -0.584135D-01  0.145702D+00  0.464191D+01
      2  -0.931779D+01  0.123466D+01  0.145702D+00  0.246699D+01  0.162610D+01
      3   0.123466D+01  0.883687D+00  0.464191D+01  0.162610D+01  0.690770D+00
                46            47            48            49            50 
      1  -0.135218D+02  0.260397D+01 -0.150768D+01  0.161860D+01  0.255923D+01
      2   0.260397D+01 -0.903290D+01  0.217252D+00  0.255923D+01  0.114951D+01
      3  -0.150768D+01  0.217252D+00 -0.152193D+01 -0.342241D+00  0.820223D+00
                51            52            53            54            55 
      1  -0.342241D+00 -0.111930D+01 -0.620519D+00 -0.914766D+00  0.393301D+01
      2   0.820223D+00 -0.620519D+00  0.190246D+00  0.449616D+01 -0.344507D+01
      3   0.173605D+01 -0.914766D+00  0.449616D+01 -0.119117D+01  0.656348D+00
                56            57            58            59            60 
      1  -0.344507D+01  0.656348D+00 -0.321338D+01 -0.397836D+01  0.394661D+00
      2   0.648682D+01 -0.488375D+00 -0.397836D+01 -0.278781D+01 -0.657322D+00
      3  -0.488375D+00  0.218875D+01  0.394661D+00 -0.657322D+00 -0.166926D+01
                61            62            63            64            65 
      1   0.731146D+00  0.483681D+00 -0.154861D+00  0.413364D+00 -0.197259D+01
      2   0.483681D+00 -0.129077D+00 -0.430301D+01 -0.197259D+01  0.102734D+01
      3  -0.154861D+00 -0.430301D+01  0.137677D+01  0.275728D+00 -0.269064D+00
                66            67            68            69            70 
      1   0.275728D+00 -0.205635D+01  0.258658D+01 -0.458471D+00  0.441430D+00
      2  -0.269064D+00  0.258658D+01 -0.761654D+01  0.109605D+01 -0.509639D+00
      3   0.138948D+00 -0.458471D+00  0.109605D+01 -0.905624D+00  0.116953D-01
                71            72            73            74            75 
      1  -0.509639D+00  0.116953D-01  0.663209D+01  0.316661D+01  0.152286D+00
      2   0.101896D+01 -0.201496D+00  0.316661D+01  0.272325D+01 -0.103440D-01
      3  -0.201496D+00  0.191564D+00  0.152286D+00 -0.103440D-01  0.481963D+00
                76            77            78            79            80 
      1   0.441671D+01  0.400531D+01 -0.545411D-01 -0.347338D-02 -0.315777D+00
      2   0.400531D+01  0.406387D+01 -0.173254D-01 -0.315777D+00 -0.241399D+00
      3  -0.545411D-01 -0.173254D-01  0.607618D+00 -0.437212D+00  0.284791D+00
                81            82            83            84            85 
      1  -0.437212D+00 -0.704169D+00  0.135925D+01 -0.206286D+00  0.564653D+00
      2   0.284791D+00  0.135925D+01 -0.156794D+01  0.256992D+00 -0.683451D+00
      3  -0.203946D+00 -0.206286D+00  0.256992D+00 -0.133331D+00  0.517956D-01
                86            87            88            89            90 
      1  -0.683451D+00  0.517956D-01 -0.241088D+00  0.222114D+00  0.128879D+00
      2   0.106130D+02 -0.104422D+01  0.222114D+00 -0.133340D+01  0.187561D+00
      3  -0.104422D+01  0.964937D+00  0.128879D+00  0.187561D+00 -0.131089D+00
                91            92            93            94            95 
      1  -0.169072D+02 -0.183534D+01 -0.247574D-01 -0.809189D+00 -0.232477D+00
      2  -0.183534D+01  0.406636D+00 -0.629793D+00 -0.232477D+00  0.481910D+01
      3  -0.247574D-01 -0.629793D+00 -0.347486D+01 -0.204220D+01 -0.747164D+00
                96            97            98            99           100 
      1  -0.204220D+01  0.388392D+00 -0.145857D+01 -0.768697D+01 -0.565177D+01
      2  -0.747164D+00 -0.145857D+01 -0.595176D+00 -0.976640D+00  0.277207D+01
      3  -0.992037D+00 -0.768697D+01 -0.976640D+00  0.252498D+00 -0.142975D+01
               101           102           103           104           105 
      1   0.277207D+01 -0.142975D+01  0.718838D+01 -0.104251D+00  0.162320D+01
      2  -0.500482D+00  0.317748D+00 -0.104251D+00 -0.471843D+01 -0.288571D-01
      3   0.317748D+00  0.379268D+01  0.162320D+01 -0.288571D-01  0.260655D+01
               106           107           108           109           110 
      1   0.428692D+01  0.109653D+01  0.554157D+01 -0.710668D+01 -0.157334D+01
      2   0.109653D+01  0.599224D+00  0.199562D+01 -0.157334D+01 -0.268728D+00
      3   0.554157D+01  0.199562D+01 -0.308840D+00  0.448080D+00  0.552313D+00
               111           112           113           114           115 
      1   0.448080D+00 -0.200099D+01 -0.154594D+00  0.127256D+01 -0.767723D+01
      2   0.552313D+00 -0.154594D+00 -0.946799D+00 -0.906044D-01  0.496890D+00
      3   0.153322D+01  0.127256D+01 -0.906044D-01  0.658857D+00  0.440274D+01
               116           117           118           119           120 
      1   0.496890D+00  0.440274D+01 -0.158845D+01 -0.980388D+00  0.892275D-01
      2  -0.895269D+00  0.351601D+00 -0.980388D+00  0.400204D+00 -0.168059D-01
      3   0.351601D+00 -0.810474D+00  0.892275D-01 -0.168059D-01  0.716832D+00
               121           122           123           124           125 
      1  -0.284593D+01  0.172865D+01 -0.766570D-01 -0.207469D+00 -0.877741D-01
      2   0.172865D+01 -0.648287D+01  0.804269D+00 -0.877741D-01  0.706871D+00
      3  -0.766570D-01  0.804269D+00 -0.153310D+01  0.113541D+01 -0.943575D+00
               126           127           128           129           130 
      1   0.113541D+01  0.142931D+02 -0.162907D+01  0.346528D+01 -0.377108D+01
      2  -0.943575D+00 -0.162907D+01  0.128552D+01 -0.261293D+00  0.160354D+01
      3   0.730119D+00  0.346528D+01 -0.261293D+00  0.216908D+01 -0.115892D+01
               131           132           133           134           135 
      1   0.160354D+01 -0.115892D+01  0.138954D+01 -0.326252D+00  0.120913D+01
      2  -0.491059D+00  0.412633D+00 -0.326252D+00 -0.256009D-01 -0.444498D+00
      3   0.412633D+00 -0.110479D+01  0.120913D+01 -0.444498D+00  0.607483D+00
               136           137           138           139           140 
      1  -0.634830D+00 -0.397563D+00  0.913694D+00 -0.115077D+01  0.273851D-01
      2  -0.397563D+00 -0.491060D+00  0.180446D+00  0.273851D-01 -0.151971D+00
      3   0.913694D+00  0.180446D+00 -0.332130D+01 -0.237421D+00  0.107035D+01
               141           142           143           144           145 
      1  -0.237421D+00  0.797795D+00 -0.747568D-01 -0.485403D+00  0.121290D+01
      2   0.107035D+01 -0.747568D-01  0.102040D+01 -0.860755D+00  0.740448D+00
      3  -0.188001D+01 -0.485403D+00 -0.860755D+00  0.741570D+01  0.166130D+00
               146           147           148           149           150 
      1   0.740448D+00  0.166130D+00  0.243147D+01  0.122578D+01  0.897095D+00
      2   0.490083D+00  0.354807D-01  0.122578D+01  0.632129D+01  0.111888D+01
      3   0.354807D-01 -0.333205D+00  0.897095D+00  0.111888D+01  0.175592D+01
               151           152           153           154           155 
      1  -0.319337D+00  0.765511D-01 -0.228939D+00  0.205017D+02  0.224835D+01
      2   0.765511D-01  0.210416D-01  0.570788D+00  0.224835D+01  0.171085D+01
      3  -0.228939D+00  0.570788D+00  0.281683D+00 -0.145952D+01 -0.105201D+00
               156           157           158           159           160 
      1  -0.145952D+01  0.467031D+01  0.407314D+01 -0.706140D+00 -0.209802D+01
      2  -0.105201D+00  0.407314D+01  0.215287D+01 -0.311928D+00 -0.430324D+00
      3   0.276318D+01 -0.706140D+00 -0.311928D+00  0.745503D+00  0.265829D+01
               161           162           163           164           165 
      1  -0.430324D+00  0.265829D+01  0.124957D+02  0.243540D-01 -0.407820D+01
      2   0.325375D+00  0.641051D+00  0.243540D-01 -0.212335D-01  0.453989D+00
      3   0.641051D+00  0.526648D-01 -0.407820D+01  0.453989D+00  0.894371D+00
               166           167           168           169           170 
      1   0.241343D+01 -0.548437D-01 -0.367192D+00 -0.175499D+01  0.622938D+00
      2  -0.548437D-01 -0.681362D+00 -0.146562D+01  0.622938D+00 -0.672353D+00
      3  -0.367192D+00 -0.146562D+01 -0.194486D+00  0.719116D+00 -0.948739D+00
               171           172           173           174           175 
      1   0.719116D+00 -0.108087D+02  0.831589D-01  0.218730D+01 -0.103607D+01
      2  -0.948739D+00  0.831589D-01 -0.332546D+00 -0.675983D+00  0.919832D-01
      3  -0.733967D+01  0.218730D+01 -0.675983D+00 -0.279151D+01 -0.883933D-02
               176           177           178           179           180 
      1   0.919832D-01 -0.883933D-02  0.617215D+01 -0.602853D+00 -0.224579D+01
      2  -0.747878D+00 -0.731251D+00 -0.602853D+00 -0.992361D+00  0.734883D-01
      3  -0.731251D+00 -0.591606D+00 -0.224579D+01  0.734883D-01 -0.341756D+00
               181           182           183           184           185 
      1  -0.765565D+01  0.600978D+00 -0.746432D-01 -0.142811D+02 -0.176423D+01
      2   0.600978D+00 -0.107283D+02  0.126813D+01 -0.176423D+01  0.656216D+01
      3  -0.746432D-01  0.126813D+01 -0.288232D+01 -0.127093D+01 -0.142945D+01
               186           187           188           189           190 
      1  -0.127093D+01  0.169792D+01 -0.384661D-01 -0.435852D+01 -0.396019D+02
      2  -0.142945D+01 -0.384661D-01 -0.210668D+01 -0.231944D+01 -0.471030D+01
      3  -0.125260D+01 -0.435852D+01 -0.231944D+01 -0.214965D+00 -0.138451D+01
               191           192           193           194           195 
      1  -0.471030D+01 -0.138451D+01  0.944131D+00 -0.320702D+01 -0.234771D+00
      2  -0.104263D+02  0.427505D+00 -0.320702D+01 -0.126399D+02  0.140105D+01
      3   0.427505D+00 -0.385192D+01 -0.234771D+00  0.140105D+01  0.400395D+00
               196           197           198           199           200 
      1  -0.204554D+01 -0.778540D+00 -0.729221D+01  0.408245D+02  0.951295D+01
      2  -0.778540D+00  0.386744D+00 -0.537064D+00  0.951295D+01  0.787713D+01
      3  -0.729221D+01 -0.537064D+00 -0.133849D+01  0.156895D+01 -0.657085D+00
               201           202           203           204           205 
      1   0.156895D+01  0.150247D+02  0.259720D+01  0.599372D+00  0.177242D+01
      2  -0.657085D+00  0.259720D+01  0.568322D+01  0.330344D+00  0.818963D-01
      3   0.730587D+00  0.599372D+00  0.330344D+00  0.237517D+01  0.916192D-01
               206           207           208           209           210 
      1   0.818963D-01  0.916192D-01  0.103833D+02  0.370546D+01  0.362439D+00
      2   0.113161D+01  0.463561D+01  0.370546D+01  0.347264D+01 -0.681626D-01
      3   0.463561D+01 -0.116706D+01  0.362439D+00 -0.681626D-01  0.151833D+00
               211           212           213           214           215 
      1  -0.285437D+01 -0.323369D+01  0.228236D+00  0.103896D+01  0.604395D+00
      2  -0.323369D+01  0.141447D+01 -0.463964D+00  0.604395D+00  0.280270D+00
      3   0.228236D+00 -0.463964D+00 -0.103534D+01  0.679537D-01  0.717866D+00
               216           217           218           219           220 
      1   0.679537D-01 -0.263552D+01 -0.440733D+01  0.174326D-02 -0.371246D+01
      2   0.717866D+00 -0.440733D+01 -0.495713D+00 -0.608678D+00  0.291983D+01
      3  -0.174548D-01  0.174326D-02 -0.608678D+00  0.901784D+00 -0.853785D+00
               221           222           223           224           225 
      1   0.291983D+01 -0.853785D+00 -0.267857D+00 -0.744542D+00  0.288010D+01
      2   0.119095D+01  0.120634D+01 -0.744542D+00  0.813720D+00  0.431421D+01
      3   0.120634D+01  0.589235D+01  0.288010D+01  0.431421D+01 -0.107701D+01
               226           227           228           229           230 
      1   0.282584D+00 -0.132346D+01  0.172269D+00 -0.338954D+00  0.144530D+00
      2  -0.132346D+01  0.152925D+01 -0.272041D+00  0.144530D+00 -0.100789D+02
      3   0.172269D+00 -0.272041D+00  0.120335D+00  0.108106D-01  0.106128D+01
               231           232           233           234           235 
      1   0.108106D-01  0.533001D-01 -0.122043D+00 -0.805656D-01 -0.654647D+01
      2   0.106128D+01 -0.122043D+00  0.123655D+01 -0.166012D+00 -0.346523D+01
      3  -0.933700D+00 -0.805656D-01 -0.166012D+00  0.113108D+00 -0.159060D+00
               236           237           238           239           240 
      1  -0.346523D+01 -0.159060D+00 -0.529530D+01 -0.413633D+01  0.137557D+00
      2  -0.259553D+01 -0.373453D-02 -0.413633D+01 -0.412117D+01  0.680178D-01
      3  -0.373453D-02 -0.284962D+00  0.137557D+00  0.680178D-01 -0.496437D+00
               241           242           243           244           245 
      1  -0.215666D-01  0.204533D+00  0.471789D+00 -0.629298D+00  0.214229D+01
      2   0.204533D+00  0.207949D+00 -0.803411D-01  0.214229D+01 -0.165546D+01
      3   0.471789D+00 -0.803411D-01  0.130163D+00 -0.239439D+00  0.312577D+00
               246           247           248           249           250 
      1  -0.239439D+00  0.257248D+01 -0.323206D+01  0.434774D+00 -0.294443D+00
      2   0.312577D+00 -0.323206D+01  0.873112D+01 -0.106151D+01  0.513020D+00
      3  -0.291657D+00  0.434774D+00 -0.106151D+01  0.100743D+01 -0.242131D+00
               251           252           253           254           255 
      1   0.513020D+00 -0.242131D+00 -0.703820D+00 -0.357406D+00  0.148682D+01
      2  -0.109593D+01  0.146545D+00 -0.357406D+00 -0.847483D-01  0.463704D+00
      3   0.146545D+00 -0.154409D+00  0.148682D+01  0.463704D+00 -0.414034D+00
               256           257           258           259           260 
      1  -0.211920D+01 -0.184791D+01  0.139118D+01  0.537613D+01  0.158507D+01
      2  -0.184791D+01 -0.188785D+01  0.146842D+01  0.158507D+01  0.171937D+01
      3   0.139118D+01  0.146842D+01 -0.252543D+01 -0.334681D+01 -0.233536D+01
               261           262           263           264           265 
      1  -0.334681D+01 -0.122201D+00 -0.230487D+00 -0.977501D+00 -0.231837D+01
      2  -0.233536D+01 -0.230487D+00  0.977384D-01 -0.118462D+00 -0.218530D+01
      3   0.516799D+01 -0.977501D+00 -0.118462D+00  0.102743D+00 -0.148551D+01
               266           267           268           269           270 
      1  -0.218530D+01 -0.148551D+01 -0.404846D+01 -0.142632D+01 -0.285176D+01
      2  -0.310579D+01 -0.240291D+01 -0.142632D+01 -0.232704D+01 -0.280543D+01
      3  -0.240291D+01 -0.312731D+01 -0.285176D+01 -0.280543D+01 -0.442684D+01
               271           272           273           274           275 
      1  -0.127652D+02  0.323890D+01 -0.115345D+01  0.693017D+01 -0.261715D+01
      2   0.323890D+01 -0.145378D+01  0.305816D+00 -0.261715D+01  0.207712D+01
      3  -0.115345D+01  0.305816D+00 -0.116111D+01  0.632466D+00 -0.387114D+00
               276           277           278           279 
      1   0.632466D+00 -0.151971D+01  0.382420D+00 -0.169431D+01
      2  -0.387114D+00  0.382420D+00 -0.340808D+00  0.409384D-01
      3   0.521586D+00 -0.169431D+01  0.409384D-01 -0.395422D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164316D+01 -0.365957D+01  0.259629D+00 -0.335551D+01 -0.213763D+01
      2  -0.103983D+02  0.380241D+01 -0.450858D+00  0.143391D+02  0.323795D+01
      3  -0.104293D+02  0.454985D+02 -0.581277D+01  0.434259D+02  0.234751D+02
                 6             7             8             9            10 
      1  -0.171440D+00  0.411193D+01  0.713979D+01 -0.607956D+00 -0.177744D+01
      2   0.181250D+00 -0.214521D+02 -0.188543D+01 -0.166281D+01  0.126208D+02
      3   0.633899D-01 -0.188159D+01  0.173342D+01 -0.204584D+01  0.178052D+02
                11            12            13            14            15 
      1  -0.516714D+01 -0.104022D-01 -0.391893D+01  0.616819D+00  0.592363D+00
      2   0.749240D+01 -0.476651D+01 -0.833565D+01  0.101534D+01 -0.226313D+00
      3   0.557307D+02 -0.458351D+01  0.583282D+02  0.184100D+02  0.243172D+01
                16            17            18            19            20 
      1   0.279588D+01  0.677957D+01 -0.468303D+00 -0.273394D+01  0.491717D+00
      2  -0.200689D+02 -0.173295D+00 -0.153392D+01  0.195983D+02 -0.578819D+00
      3  -0.167111D+01  0.321234D+01  0.116579D+01  0.261426D+02 -0.322901D+02
                21            22            23            24            25 
      1  -0.909511D+00  0.140052D+01 -0.221285D+01 -0.300062D+01  0.373609D+01
      2  -0.613094D+00  0.406667D+01  0.381993D+00 -0.224407D+01 -0.187573D+02
      3   0.549989D+01  0.949202D+01  0.402244D+01  0.552171D+00  0.201312D+01
                26            27            28            29            30 
      1  -0.795632D+00 -0.127575D+01 -0.170735D+01 -0.594499D+00  0.157708D+00
      2  -0.753070D+01  0.577944D+00 -0.167123D+02 -0.517630D+00  0.167145D+01
      3  -0.179955D+01  0.482151D+01 -0.104600D+01  0.625431D+01 -0.134135D+01
                31            32            33            34            35 
      1  -0.385952D+01  0.576545D+01  0.169857D+01  0.239190D+01  0.138156D+02
      2   0.258773D+01 -0.645019D+00  0.178492D+01 -0.148176D+02 -0.196429D+01
      3   0.281918D+02  0.609007D+01 -0.118438D+01  0.224971D+00  0.994105D+00
                36            37            38            39            40 
      1  -0.102827D+01 -0.146029D+01  0.174079D+01 -0.551739D+01 -0.643892D+00
      2  -0.190702D+01  0.228739D+01  0.648944D+00  0.315896D+01 -0.626342D+01
      3  -0.237016D+01  0.321465D+02  0.271236D+01  0.509375D+00 -0.107631D+02
                41            42            43            44            45 
      1  -0.198253D+01  0.172913D+00 -0.155606D+02  0.922151D+01 -0.237527D+01
      2   0.989217D+00  0.519145D+00 -0.759092D+01  0.638578D+01 -0.122297D+01
      3   0.254031D+01  0.921290D+00  0.279094D+01  0.159750D+01  0.626557D+01
                46            47            48            49            50 
      1   0.410044D+01  0.145085D+01  0.464546D+01  0.236394D+01  0.122942D+01
      2  -0.322934D+01 -0.541137D+01  0.109349D+00 -0.354451D+01 -0.320729D+01
      3  -0.589849D+02 -0.369934D+02  0.945319D+00 -0.871638D+01 -0.244055D+02
                51            52            53            54            55 
      1  -0.359186D+01  0.612980D+01 -0.418963D+01  0.312158D+01  0.984097D+00
      2   0.901997D+00 -0.179169D+02  0.189834D+01 -0.202349D+01 -0.103702D+01
      3   0.771939D+00 -0.151691D+01 -0.161899D+01 -0.571057D+01 -0.301997D+02
                56            57            58            59            60 
      1   0.520852D+01  0.436913D+01 -0.907463D-01  0.946939D+00 -0.355719D+01
      2  -0.476587D+01 -0.635364D+01 -0.171424D+01 -0.913774D+00  0.375449D+01
      3  -0.361995D+02  0.395537D+01 -0.645331D+00 -0.278231D+02  0.121933D+01
                61            62            63            64            65 
      1   0.351983D+01 -0.376885D+01  0.146860D+01 -0.582455D+00 -0.482988D-02
      2  -0.226019D+02  0.661167D+01 -0.447132D+01  0.190233D+00  0.496875D+00
      3   0.115056D+01 -0.234942D+01 -0.101395D+02  0.843318D+00  0.273957D+00
                66            67            68            69            70 
      1   0.758054D+00  0.559874D+00 -0.193874D+01 -0.373161D+01  0.148489D+00
      2   0.203793D+00  0.911793D+00  0.160121D+00 -0.125965D+01 -0.179619D+01
      3   0.999738D-01  0.451612D+01  0.554776D+01 -0.651232D+00 -0.170511D+00
                71            72            73            74            75 
      1   0.254945D+01  0.454407D+00 -0.187647D+00  0.210633D+00 -0.256573D+01
      2   0.946115D+00 -0.324731D-01 -0.950617D+00 -0.722215D+00  0.227524D+01
      3  -0.753082D+00 -0.597303D+00  0.975111D+01  0.194357D-01  0.261320D+00
                76            77            78            79            80 
      1   0.102158D+01  0.933887D+00 -0.266244D+01  0.213699D+01  0.895665D+00
      2  -0.132128D+01 -0.958784D+00  0.258512D+01 -0.262249D+01  0.294389D+00
      3   0.244484D+01 -0.179741D+01  0.222217D-01  0.118051D+01  0.100781D-01
                81            82            83            84            85 
      1   0.432341D+00  0.699803D+00 -0.651724D+00  0.972968D+00 -0.318584D+00
      2  -0.435684D+00 -0.375598D+00  0.365457D-01  0.484013D+00  0.369307D+00
      3  -0.104484D+01 -0.450020D+01  0.209615D+01 -0.581180D+00  0.512055D+01
                86            87            88            89            90 
      1   0.254374D+01 -0.517316D+01 -0.116140D+01  0.194719D+01  0.307854D+00
      2  -0.349800D+00 -0.618651D+00 -0.750625D+00 -0.894005D+00  0.291496D+00
      3  -0.344186D+01  0.575858D+00 -0.100003D+01  0.107135D+01  0.107558D+01
                91            92            93            94            95 
      1  -0.183468D+01 -0.444068D+00 -0.126446D+01 -0.233529D+01  0.215429D+01
      2   0.123102D+02 -0.116246D+01 -0.832575D+01 -0.499660D+01 -0.247915D+01
      3   0.676299D+01 -0.568277D+01  0.195854D+01  0.904387D+01 -0.217169D+02
                96            97            98            99           100 
      1  -0.316943D+01 -0.441851D+01  0.284653D+01 -0.834176D+00  0.552144D+01
      2  -0.174462D+01 -0.356540D+02 -0.257254D+01  0.457473D+01  0.965211D+01
      3   0.432730D+01  0.426922D+01  0.356544D+01  0.628743D+01 -0.170401D+02
               101           102           103           104           105 
      1   0.588359D+00 -0.289003D-01 -0.177567D+01 -0.116427D+02 -0.354804D+01
      2  -0.291814D+01  0.224426D+02 -0.180871D+01  0.104778D+01  0.882965D+01
      3  -0.170806D+01 -0.285908D+01  0.369211D+01  0.244670D+02  0.431470D+00
               106           107           108           109           110 
      1   0.195707D+01  0.185108D+01  0.675346D+01  0.536450D+01  0.267892D+01
      2   0.165775D+02  0.722727D+01 -0.111103D+02 -0.156373D+02  0.744940D+00
      3  -0.483502D+01 -0.636661D+00 -0.922688D+01  0.270148D+01  0.141040D+02
               111           112           113           114           115 
      1   0.657058D+01  0.116954D+02 -0.425087D+00 -0.155636D+02  0.584747D+01
      2   0.354320D+01  0.381260D+01 -0.977008D+00 -0.543121D+01  0.115451D+02
      3  -0.385654D+00  0.183938D+02  0.120212D+02 -0.268211D+01  0.341288D+00
               116           117           118           119           120 
      1  -0.501429D+01 -0.358649D+00 -0.432825D+00  0.442626D+00  0.234422D+00
      2  -0.166874D+01 -0.369042D+00  0.132336D+01  0.477997D+00  0.302226D+01
      3  -0.175449D+01 -0.344096D+01  0.667089D+01 -0.149262D+01 -0.133997D+00
               121           122           123           124           125 
      1   0.725101D+00 -0.384333D+01 -0.231048D+01  0.239096D+00  0.787842D+00
      2   0.119687D+01  0.170086D+01 -0.484964D+01  0.212311D+01 -0.268747D+01
      3  -0.100076D+01  0.234142D+02 -0.295266D+01  0.516208D+00 -0.250117D+01
               126           127           128           129           130 
      1   0.384536D+00 -0.310205D+01  0.370506D+01 -0.171830D+00  0.322100D+01
      2   0.166493D+01 -0.105784D+02  0.198842D+01  0.666464D+01  0.171933D+01
      3   0.251564D+01  0.839026D+01 -0.895805D+01  0.147126D+01 -0.648660D+01
               131           132           133           134           135 
      1  -0.602194D+00 -0.314586D+00 -0.981462D+00  0.837660D+00 -0.969842D+00
      2  -0.111021D+01 -0.339253D+01  0.190170D+01 -0.105950D+01  0.993533D-01
      3   0.141634D+01 -0.162217D+01  0.111175D+01 -0.154821D+01  0.210647D+01
               136           137           138           139           140 
      1  -0.153752D+01 -0.248452D+01  0.674813D+00 -0.711967D+00 -0.640757D+00
      2   0.762104D+01  0.186785D+01 -0.144145D+02  0.168644D+01  0.417054D+01
      3   0.210085D+01  0.178168D+01 -0.819377D+00  0.136881D+01  0.315585D+00
               141           142           143           144           145 
      1   0.122456D+01  0.625269D-01  0.425494D+01 -0.268069D+01  0.218558D+01
      2  -0.712168D+01 -0.695614D+01 -0.378423D+01  0.302423D+02 -0.814234D+00
      3  -0.395341D+01  0.453227D+00 -0.329323D+01  0.369761D+01 -0.362875D+01
               146           147           148           149           150 
      1   0.775038D+00  0.255963D+00  0.116273D+01  0.142173D+02 -0.112116D+01
      2  -0.109388D+01 -0.114111D+01 -0.725303D+00  0.212436D+01  0.573430D+01
      3  -0.165284D+01 -0.485588D+00 -0.603049D+00 -0.278726D+02 -0.355924D+01
               151           152           153           154           155 
      1   0.357798D+00  0.680723D+00  0.114351D+01 -0.443377D+01 -0.298749D+01
      2  -0.125585D+01  0.185082D+01  0.134678D+01  0.751863D+01  0.108641D+01
      3  -0.140519D+01  0.467553D+00 -0.248219D+01 -0.132700D+02 -0.225227D+02
               156           157           158           159           160 
      1  -0.234795D+01 -0.804872D+01 -0.247796D+01  0.609717D+00 -0.313707D+00
      2   0.218027D+02 -0.368479D+01  0.155664D+01  0.727661D+01  0.769694D+01
      3   0.189002D+00 -0.170087D+02 -0.142691D+02  0.205689D+01  0.128064D+01
               161           162           163           164           165 
      1   0.337736D+01 -0.902804D+00 -0.656077D+01 -0.144776D+01 -0.171954D+00
      2   0.284194D+01  0.110299D+01  0.106207D+02  0.278911D+01  0.697011D+00
      3   0.189598D+01 -0.334771D+01 -0.900930D+01 -0.389701D+01  0.690253D+00
               166           167           168           169           170 
      1  -0.460659D+01  0.165182D+01  0.438414D+01  0.205603D+01  0.812187D+01
      2   0.369501D+01 -0.588396D+01  0.513433D+00 -0.795528D+01 -0.301186D+01
      3  -0.158818D+01  0.221422D+01  0.722850D+01 -0.202666D+00  0.323494D+01
               171           172           173           174           175 
      1  -0.347826D+01  0.605304D+01  0.135571D+01 -0.225933D+01  0.490110D+01
      2  -0.255457D+02 -0.214902D+02 -0.276988D+01 -0.575413D+01 -0.363381D+01
      3   0.379540D+01  0.962171D+01  0.220263D+01  0.735954D-01  0.573452D+01
               176           177           178           179           180 
      1  -0.543236D+00 -0.218324D+01 -0.279501D+01 -0.415828D+00  0.108235D+01
      2  -0.276526D+01 -0.152401D+01 -0.488813D+00 -0.243861D+00 -0.285952D+01
      3   0.100886D+01  0.128074D+01 -0.318101D+01 -0.463648D+00  0.151691D+01
               181           182           183           184           185 
      1   0.551483D+00 -0.392298D+01 -0.563314D+01 -0.499792D+00  0.141080D+01
      2   0.264127D+01  0.971400D+00  0.968067D+01  0.121998D+01  0.241208D+01
      3   0.157449D+02  0.547316D+01 -0.102100D+01 -0.130698D+02  0.750694D+01
               186           187           188           189           190 
      1  -0.113709D+01 -0.129120D+02  0.700254D+01 -0.263207D+01 -0.209090D+01
      2   0.351389D+01 -0.148238D+01  0.112577D+02  0.906203D-01  0.111544D+02
      3  -0.194259D+01  0.163331D+01 -0.936621D+00  0.433409D+00  0.212473D+02
               191           192           193           194           195 
      1  -0.498826D+01  0.184010D+01 -0.419917D+01 -0.119660D+01  0.325215D+01
      2   0.425148D+01  0.218832D+01  0.524540D+01  0.151831D+01 -0.450499D+00
      3   0.224044D+02 -0.860430D+00  0.421097D+02  0.657406D+01  0.258727D+01
               196           197           198           199           200 
      1   0.424131D+00  0.135866D+02 -0.163608D+01  0.277903D+00  0.499174D+01
      2   0.315305D+01 -0.397711D+01  0.248188D+01 -0.868155D+01 -0.587701D+01
      3  -0.315190D+01  0.283927D+01 -0.853870D+00  0.252919D+01 -0.454229D+02
               201           202           203           204           205 
      1  -0.666052D+00  0.153585D+01  0.169167D+01 -0.333381D+01  0.513127D+01
      2   0.235636D+01 -0.559960D+01 -0.409151D+01 -0.506795D+01 -0.198879D+02
      3   0.404240D+01 -0.463315D+01 -0.947812D+01  0.190211D+01  0.232144D+01
               206           207           208           209           210 
      1   0.100226D+01  0.872258D+00  0.155273D+01  0.408265D+01 -0.152555D+01
      2  -0.167909D+02  0.191699D+01 -0.390011D+01 -0.365503D+01  0.138436D+02
      3   0.211081D+00  0.943577D+01 -0.868632D+01 -0.402374D+02  0.178694D+01
               211           212           213           214           215 
      1  -0.604438D+00 -0.153822D+01 -0.423915D+01 -0.227144D+01 -0.130504D+01
      2  -0.362473D+00  0.270946D+01  0.486251D+01 -0.637132D+01 -0.180211D+01
      3   0.637836D+00  0.148063D+02 -0.199104D+01 -0.545912D+00 -0.464470D+01
               216           217           218           219           220 
      1   0.246900D+00  0.673408D+00 -0.155106D+01  0.134036D+01 -0.878041D+00
      2   0.561973D+00 -0.145605D+00  0.421365D+01 -0.699107D+01  0.476784D+01
      3   0.324331D+01 -0.290684D+02  0.139387D+02 -0.555171D+01  0.283172D+02
               221           222           223           224           225 
      1  -0.543964D+00  0.279968D+01  0.102393D+02  0.458179D+01 -0.146180D+01
      2  -0.580854D+01 -0.382145D+02 -0.226193D+02 -0.282722D+02  0.744598D+01
      3   0.200896D+02  0.768571D+01 -0.476949D+01  0.581682D+01  0.287267D+02
               226           227           228           229           230 
      1   0.157897D+00 -0.155659D+00  0.889251D+00  0.273210D-01 -0.642652D+00
      2  -0.745649D+00  0.821528D+00  0.171751D+00  0.427530D+00 -0.215910D+01
      3  -0.620023D+01  0.421704D+01 -0.963513D+00  0.425138D+01 -0.202683D+02
               231           232           233           234           235 
      1  -0.458062D+01 -0.197541D+00  0.286644D+01  0.213651D+00 -0.868487D+00
      2   0.102902D+01 -0.187839D+00 -0.360803D+00  0.769261D-01  0.186846D+01
      3   0.226014D+01 -0.102080D+01  0.305698D+01  0.333679D+00  0.192054D+01
               236           237           238           239           240 
      1  -0.403986D+00 -0.177402D+01 -0.600400D-01 -0.112456D+00 -0.238442D+01
      2   0.433500D+00  0.211109D+01  0.333905D-01  0.811247D-01  0.302342D+01
      3  -0.476830D+01  0.415253D+00 -0.431460D+01 -0.107274D+02  0.204521D+00
               241           242           243           244           245 
      1   0.231076D+01  0.926352D+00  0.258005D+00  0.996251D-01 -0.227448D+00
      2  -0.325289D+01  0.225600D-01 -0.631706D+00  0.589219D+00 -0.661258D+00
      3   0.109517D+01  0.737836D+00 -0.979256D+00  0.376514D+01 -0.254039D+01
               246           247           248           249           250 
      1   0.970427D+00 -0.310728D+00  0.529428D-01 -0.407250D+01 -0.169599D+00
      2   0.123185D+01 -0.701316D+00  0.267120D+01 -0.323266D+01 -0.193786D+01
      3   0.526037D+00 -0.149246D+01  0.208636D+02 -0.231530D+01  0.732656D+00
               251           252           253           254           255 
      1   0.192512D+01  0.363622D+00 -0.259909D+00  0.185798D+00 -0.124578D+00
      2   0.162475D+00  0.267639D+00 -0.971266D+01 -0.271300D+01  0.329935D+01
      3  -0.245453D+01 -0.101015D+00 -0.380841D+01 -0.262002D+01  0.250522D+01
               256           257           258           259           260 
      1   0.121477D+01  0.749006D+00 -0.270832D+01 -0.292636D+01  0.990856D+00
      2  -0.702840D+01 -0.901080D+01  0.160219D+02  0.167018D+02  0.150726D+02
      3  -0.102177D+02 -0.157196D+02  0.940419D+01  0.829898D+01  0.133938D+02
               261           262           263           264           265 
      1   0.412032D+01  0.775732D+00 -0.300340D-01  0.620566D+00 -0.202869D+00
      2  -0.318517D+02  0.645649D+01  0.113550D+00 -0.142578D+00  0.582686D+01
      3  -0.154240D+02 -0.215875D+01 -0.106779D+01 -0.457770D-01 -0.121260D+02
               266           267           268           269           270 
      1   0.114418D+01 -0.231282D+01 -0.147763D+01  0.189808D+01 -0.245967D+01
      2   0.128647D+02  0.185626D+02  0.122632D+02  0.165936D+02  0.249855D+02
      3  -0.235340D+02 -0.146719D+02 -0.681440D+01 -0.164581D+02 -0.177274D+02
               271           272           273           274           275 
      1  -0.107080D+01  0.812632D+00  0.411371D+00  0.739801D+00 -0.756519D+00
      2   0.380773D+01 -0.126128D+01  0.910035D+01 -0.218577D+01  0.171852D+01
      3   0.223568D+02 -0.135386D+02  0.238511D+01 -0.163284D+02  0.138030D+02
               276           277           278           279 
      1  -0.971826D+00 -0.881641D+00  0.487846D+00  0.762633D-01
      2  -0.371632D+01  0.838769D+01 -0.189900D-01  0.207799D+01
      3  -0.254914D+01  0.275255D+01 -0.262612D+01  0.706707D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904443D+02 -0.410092D+02 -0.740573D+00  0.945188D+02 -0.741952D+01
      2   0.457891D+02  0.233462D+02  0.511882D+00 -0.430062D+02  0.109077D+02
      3   0.446552D+02  0.176630D+02  0.228692D+00 -0.515126D+02 -0.348822D+01
      4  -0.339167D+02  0.392028D+01 -0.247668D+01 -0.287850D+01  0.902634D+01
      5   0.278563D+01 -0.203034D+01 -0.242978D+00 -0.441751D+01 -0.325234D+01
      6   0.310424D+00  0.125958D+01 -0.258494D+00 -0.391302D+01 -0.296318D+01
                 6             7             8             9            10 
      1   0.628404D+01 -0.183948D+02 -0.343330D+01 -0.117789D+02  0.625056D+02
      2  -0.454392D+01  0.801762D+01  0.184681D+01 -0.267614D+00 -0.165652D+02
      3  -0.174012D+01  0.103772D+02  0.158649D+01  0.120465D+02 -0.459405D+02
      4  -0.139220D+01 -0.231472D+01 -0.730278D+00 -0.955465D-01  0.113300D+01
      5  -0.691474D+00  0.219225D+01  0.152896D+01 -0.160906D+01  0.131896D+01
      6  -0.245297D+00 -0.287248D+01  0.435377D+01  0.142867D+00 -0.597949D+01
                11            12            13            14            15 
      1  -0.109682D+02  0.716118D+01 -0.114457D+03 -0.215077D+02 -0.686729D+01
      2   0.877125D+01 -0.186341D+01  0.515482D+02  0.189326D+02  0.119269D+01
      3   0.219695D+01 -0.529777D+01  0.629092D+02  0.257518D+01  0.567460D+01
      4  -0.201948D+01 -0.419247D+00 -0.185653D+02 -0.136717D+02  0.329882D+00
      5  -0.296743D+01 -0.896938D+01  0.605537D+01  0.248444D+01  0.696988D+00
      6  -0.103423D+01 -0.234461D+00  0.255541D+01  0.381722D+00 -0.171853D+01
                16            17            18            19            20 
      1   0.182115D+02  0.647559D+00 -0.788426D+01  0.636320D+02  0.438456D+02
      2  -0.687572D+01 -0.870216D+00 -0.140409D+01 -0.277410D+02 -0.275215D+02
      3  -0.113357D+02  0.222657D+00  0.928835D+01 -0.358910D+02 -0.163241D+02
      4   0.239622D+01  0.463158D+00 -0.249907D+01  0.358781D+02 -0.964314D+01
      5  -0.108253D+01 -0.239872D+01 -0.199280D+01 -0.678680D+01  0.167728D+01
      6  -0.240117D+01  0.408442D+01  0.105087D+01 -0.278934D+01 -0.511279D+01
                21            22            23            24            25 
      1   0.326079D+01 -0.132514D+02  0.192656D+02 -0.146236D+01  0.801724D+01
      2  -0.705594D+00  0.203462D+02 -0.249508D+02  0.478721D+01 -0.465249D+01
      3  -0.255519D+01 -0.709478D+01  0.568520D+01 -0.332485D+01 -0.336475D+01
      4   0.278560D+01  0.150966D+02  0.153979D+01 -0.146424D+01  0.356235D+01
      5  -0.572696D+01 -0.242986D+01 -0.278268D+01 -0.739896D+01  0.926660D+01
      6   0.886142D+00 -0.441866D+01  0.399210D+01  0.561178D+01 -0.137731D+01
                26            27            28            29            30 
      1   0.459766D+01 -0.129383D+02  0.178589D+01 -0.135381D+01 -0.412887D+01
      2   0.322565D+01 -0.879143D+00 -0.212504D+02  0.123174D+01  0.235555D+00
      3  -0.782332D+01  0.138174D+02  0.194646D+02  0.122068D+00  0.389331D+01
      4  -0.306287D+01 -0.508587D+01 -0.192929D+02  0.110118D+02 -0.638833D+00
      5  -0.871480D+01 -0.472216D-01  0.102967D+02  0.192112D+01  0.954644D+01
      6   0.125721D+02 -0.294323D+01  0.606237D+01  0.271815D+01 -0.245598D+01
                31            32            33            34            35 
      1  -0.483842D+02 -0.576696D+02  0.527270D+01 -0.149687D+01  0.409232D+01
      2   0.392622D+02  0.507379D+02 -0.628568D+01 -0.400200D+01 -0.520063D+01
      3   0.912206D+01  0.693163D+01  0.101298D+01  0.549887D+01  0.110831D+01
      4  -0.315864D+02  0.288949D+01 -0.167279D+01  0.569501D+01 -0.387201D+00
      5   0.588847D+01 -0.130403D+01  0.369341D+01  0.320485D+02  0.420996D+01
      6  -0.491629D+01  0.161071D+01 -0.382991D+01 -0.406711D+01  0.290970D+01
                36            37            38            39            40 
      1  -0.909377D+00 -0.191502D+02 -0.589383D+02  0.240764D+01  0.396241D+02
      2  -0.101388D+02  0.105104D+02  0.451192D+02 -0.177612D+01 -0.406105D+02
      3   0.110482D+02  0.863984D+01  0.138190D+02 -0.631526D+00  0.986364D+00
      4  -0.192936D+01 -0.959830D+01 -0.270639D+01 -0.752105D+00  0.100507D+02
      5   0.738060D+00  0.179628D+01 -0.382365D+01  0.814775D+01  0.354251D+01
      6   0.203484D+01 -0.348639D+01  0.326494D+01  0.103439D+02  0.894632D+01
                41            42            43            44            45 
      1   0.359357D+02 -0.417782D+01 -0.890117D+01 -0.118240D+02 -0.928766D+01
      2  -0.328403D+02  0.144147D+01  0.735067D+01  0.824567D+01 -0.108274D+01
      3  -0.309535D+01  0.273635D+01  0.155050D+01  0.357832D+01  0.103704D+02
      4  -0.154910D+02  0.392884D+01 -0.226849D+01  0.234097D+01  0.875446D+01
      5   0.550842D+01  0.501518D+01  0.174936D+02  0.501281D+01  0.628287D+00
      6  -0.107160D+01  0.157425D+01  0.185026D+02  0.796974D+01  0.514432D+01
                46            47            48            49            50 
      1   0.319837D+02  0.432214D+02  0.166773D+01 -0.972134D+01  0.352823D+00
      2  -0.248765D+02 -0.337568D+02 -0.508944D+00  0.662337D+01 -0.116164D+02
      3  -0.710718D+01 -0.946460D+01 -0.115878D+01  0.309796D+01  0.112636D+02
      4   0.298440D+01 -0.750316D+01  0.109072D+01  0.813507D+01  0.918606D+01
      5  -0.461877D+01  0.372832D+01 -0.235717D+01 -0.189680D+00 -0.637561D+00
      6   0.406822D+01 -0.557344D+01 -0.711326D+01 -0.193929D-01  0.755811D+01
                51            52            53            54            55 
      1  -0.398191D+01  0.592937D+01 -0.128726D+01 -0.223280D+02  0.207026D+02
      2   0.434984D+01 -0.481156D+01  0.413858D+01  0.107186D+02 -0.175819D+02
      3  -0.367938D+00 -0.111780D+01 -0.285132D+01  0.116094D+02 -0.312071D+01
      4  -0.114484D+01  0.111639D+00 -0.388406D+01 -0.189451D+01  0.237545D+02
      5   0.623618D-01  0.408593D+01  0.142052D+01 -0.234214D+01  0.302032D+01
      6   0.860919D+01 -0.312260D+01  0.230750D+02 -0.195183D+01  0.296047D+01
                56            57            58            59            60 
      1   0.542650D+02 -0.140452D+01  0.711116D+01  0.202157D+02 -0.447541D+01
      2  -0.357779D+02 -0.440146D+00 -0.121816D+01 -0.213525D+02  0.574129D+01
      3  -0.184872D+02  0.184466D+01 -0.589300D+01  0.113681D+01 -0.126588D+01
      4  -0.428693D+02  0.441273D+01  0.283868D+02  0.168524D+02  0.163988D+01
      5   0.575413D+01 -0.139604D+02 -0.310265D+01  0.794631D+00  0.579055D+01
      6  -0.184078D+01 -0.846682D+01 -0.329917D+00  0.608007D+01  0.807100D+01
                61            62            63            64            65 
      1   0.250773D+01 -0.142682D+01 -0.213603D+02 -0.107148D+01  0.277860D+01
      2  -0.170035D+01  0.665788D+01  0.790595D+01  0.396989D+01 -0.409328D+01
      3  -0.807378D+00 -0.523107D+01  0.134544D+02 -0.289842D+01  0.131468D+01
      4  -0.233133D+01 -0.379073D+01  0.148666D+02 -0.514307D+01  0.976282D+01
      5   0.179213D+01  0.174064D+02 -0.783788D+01  0.107197D+01 -0.171949D+01
      6   0.198172D+01  0.217164D+02 -0.454419D+01 -0.186299D+01  0.172264D+01
                66            67            68            69            70 
      1  -0.471747D+00  0.746921D+01 -0.317426D+02  0.480640D+01 -0.105554D+00
      2   0.319517D+00 -0.102352D+02  0.385194D+02 -0.369567D+01  0.370266D+00
      3   0.152230D+00  0.276602D+01 -0.677680D+01 -0.111073D+01 -0.264712D+00
      4  -0.134470D+01  0.103410D+02 -0.183481D+02  0.238218D+01 -0.157452D+01
      5   0.150305D+01 -0.182529D+01  0.158044D+01 -0.226025D+01  0.257740D+00
      6  -0.107439D+01  0.295561D+01 -0.960607D+01  0.693336D+01 -0.180166D+01
                71            72            73            74            75 
      1   0.346915D+01 -0.348191D+01  0.924957D+01 -0.497384D+00 -0.184661D+00
      2  -0.392901D+01  0.342950D+01  0.163160D+01  0.779901D+01 -0.152993D+00
      3   0.459862D+00  0.524029D-01 -0.108812D+02 -0.730163D+01  0.337654D+00
      4   0.280192D+01 -0.771125D+00  0.257203D+02  0.191628D+02  0.663920D-02
      5   0.893206D-01  0.571288D+00  0.130652D+01  0.427560D+00  0.415625D+01
      6   0.324885D+01 -0.188067D+01  0.159827D+01  0.872973D+00  0.243118D+01
                76            77            78            79            80 
      1  -0.229992D+01 -0.851425D+01  0.192461D+00  0.848378D+00  0.784162D+00
      2   0.120238D+02  0.181588D+02 -0.365566D+00 -0.110288D+01 -0.112011D+01
      3  -0.972391D+01 -0.964457D+01  0.173104D+00  0.254503D+00  0.335949D+00
      4   0.251779D+02  0.251299D+02 -0.369423D+00 -0.121196D+01 -0.139136D+01
      5   0.508721D+00 -0.723872D-01  0.365090D+01 -0.889587D+00  0.180570D+01
      6   0.827422D+00  0.135254D+01  0.418566D+01 -0.118243D+01  0.199432D+01
                81            82            83            84            85 
      1   0.114527D+00 -0.420148D+01  0.685033D+01 -0.124907D+01  0.319568D+01
      2   0.782542D+00  0.643869D+01 -0.933804D+01  0.115039D+01 -0.372077D+01
      3  -0.897070D+00 -0.223720D+01  0.248771D+01  0.986820D-01  0.525091D+00
      4   0.186210D+01 -0.272174D+01  0.109965D+02 -0.932572D+00  0.649720D+01
      5  -0.825362D+00 -0.345854D+00 -0.649916D-01  0.170930D+01 -0.194276D+00
      6  -0.618499D+00 -0.489307D+00  0.123401D+01 -0.130109D+01  0.106090D+00
                86            87            88            89            90 
      1  -0.522782D+02  0.521974D+01 -0.117410D+01  0.669559D+01 -0.243472D+01
      2   0.695849D+02 -0.579242D+01  0.119148D+01 -0.810157D+01  0.277203D+01
      3  -0.173067D+02  0.572683D+00 -0.173740D-01  0.140598D+01 -0.337309D+00
      4  -0.868881D+01  0.554393D+00 -0.799602D+00  0.148650D+01 -0.143179D+01
      5  -0.179619D+01 -0.353409D+00  0.755410D+00 -0.105746D+01  0.433009D+00
      6  -0.448007D+01  0.789423D+01  0.565558D+00  0.298825D+01 -0.166737D+01
                91            92            93            94            95 
      1  -0.108256D+02 -0.598556D+01  0.100247D+02 -0.866860D+01  0.139199D+02
      2   0.190068D+02  0.623675D+01  0.149504D+01  0.117077D+02 -0.192112D+02
      3  -0.818124D+01 -0.251188D+00 -0.115197D+02 -0.303908D+01  0.529129D+01
      4  -0.295873D+01  0.101302D+01 -0.476783D+01 -0.277940D+01  0.377441D+02
      5  -0.188556D+01 -0.620614D+01 -0.248475D+02 -0.205228D+02 -0.443455D+01
      6  -0.576928D+01 -0.238326D+01 -0.102261D+01 -0.617676D-01  0.899065D+01
                96            97            98            99           100 
      1  -0.117061D+02  0.367881D+01 -0.574930D+01 -0.250533D+02 -0.596536D+02
      2   0.137646D+02  0.498119D+01  0.556036D+01  0.188395D+02  0.327381D+02
      3  -0.205857D+01 -0.866000D+01  0.188938D+00  0.621375D+01  0.269155D+02
      4  -0.416458D+01 -0.108912D+02 -0.503312D+01 -0.438972D+01  0.270379D+02
      5  -0.632760D+01 -0.603583D+02 -0.740279D+01 -0.456340D+01 -0.323821D+02
      6  -0.947098D+00 -0.616002D+00 -0.992917D+00 -0.480863D+01  0.131872D+02
               101           102           103           104           105 
      1   0.194239D+02 -0.318653D+02  0.346613D+02  0.788984D+00 -0.253353D+00
      2  -0.102997D+02  0.112497D+01 -0.258541D+02 -0.722139D+01 -0.108606D+02
      3  -0.912422D+01  0.307403D+02 -0.880718D+01  0.643241D+01  0.111140D+02
      4  -0.968376D+00  0.425684D+01 -0.424997D+01 -0.406464D+02 -0.146113D+01
      5   0.917931D+01  0.203021D+02  0.232508D+02 -0.245569D+00  0.183556D+02
      6   0.350114D-01  0.760809D+00  0.776002D-01 -0.176240D+02  0.223151D+00
               106           107           108           109           110 
      1  -0.621463D+01 -0.284596D+01  0.379051D+02 -0.102994D+03 -0.140513D+02
      2  -0.140380D+02 -0.517457D+01 -0.122926D+02  0.462616D+02  0.240776D+01
      3   0.202526D+02  0.802054D+01 -0.256125D+02  0.567324D+02  0.116435D+02
      4   0.622473D+01  0.223608D+01  0.151490D+02 -0.212953D+02 -0.174937D+02
      5   0.423236D+02  0.149076D+02  0.142755D+02  0.196636D+02  0.804968D+01
      6   0.435700D+01  0.187661D+01  0.116985D+02  0.654608D+01  0.184548D+01
               111           112           113           114           115 
      1   0.981147D+01 -0.252097D+02 -0.111442D+02  0.689865D+01 -0.215344D+02
      2  -0.470927D+01  0.691177D+01  0.113226D+02 -0.340023D+01  0.165982D+02
      3  -0.510220D+01  0.182980D+02 -0.178399D+00 -0.349842D+01  0.493620D+01
      4   0.563320D+01  0.167051D+01 -0.175990D+02  0.563221D+00  0.628320D+01
      5  -0.351176D+01  0.141811D+02  0.230019D+01 -0.212631D+01  0.263083D+02
      6  -0.309141D+01  0.253402D+01  0.124078D+01  0.924755D+00  0.833332D+00
               116           117           118           119           120 
      1   0.584284D+01  0.258525D+02 -0.699170D+01 -0.620892D+01 -0.596364D+00
      2  -0.265531D+01 -0.668838D+01  0.837995D+01  0.248828D+01  0.267773D+00
      3  -0.318752D+01 -0.191642D+02 -0.138825D+01  0.372065D+01  0.328591D+00
      4  -0.124202D+01  0.248747D+01 -0.849850D+01  0.731568D+01 -0.550264D+00
      5   0.334141D+01 -0.759549D+01  0.285432D+00 -0.102487D+01  0.702227D+01
      6  -0.455116D+01 -0.345381D+01 -0.227558D+01  0.772538D+00 -0.268189D+00
               121           122           123           124           125 
      1  -0.909560D+01 -0.174062D+02  0.536132D+01 -0.155603D+01  0.214139D+01
      2   0.341394D+00  0.294776D+02 -0.423786D+01  0.119297D+01 -0.808148D+00
      3   0.875421D+01 -0.120714D+02 -0.112346D+01  0.363065D+00 -0.133324D+01
      4   0.161674D+02 -0.455688D+02  0.550843D+01 -0.542229D+00  0.469992D+01
      5  -0.118236D+01  0.526926D+01 -0.110805D+02  0.936259D+01 -0.567714D+01
      6   0.214137D+01 -0.104105D+02  0.627364D+01 -0.185297D+01  0.648470D+01
               126           127           128           129           130 
      1  -0.502033D+00  0.104794D+03 -0.135473D+02  0.202756D+02 -0.248625D+02
      2   0.300560D+00 -0.629911D+02  0.692593D+01 -0.174158D+02  0.143720D+02
      3   0.201472D+00 -0.418029D+02  0.662134D+01 -0.285979D+01  0.104905D+02
      4  -0.606845D+01 -0.201754D+02  0.158498D+02 -0.406306D+01  0.198523D+02
      5   0.485068D+01  0.602633D+02 -0.673253D+01  0.287145D+02 -0.173443D+02
      6  -0.224300D+01 -0.800577D+01  0.633814D+01 -0.196715D+01  0.723569D+01
               131           132           133           134           135 
      1   0.108882D+02 -0.379123D+01  0.100785D+02 -0.564492D+00  0.648965D+01
      2  -0.407980D+01  0.526052D+01 -0.917913D+01  0.169369D+01 -0.748737D+01
      3  -0.680838D+01 -0.146929D+01 -0.899387D+00 -0.112920D+01  0.997728D+00
      4  -0.527839D+01  0.470855D+01 -0.243868D+01  0.178512D+01 -0.440204D+01
      5   0.681443D+01 -0.106848D+02  0.175734D+02 -0.450104D+01  0.838345D+01
      6  -0.183306D+01  0.314759D+01 -0.234474D+01  0.154935D+01 -0.198334D+01
               136           137           138           139           140 
      1  -0.651788D+01 -0.470222D+01  0.232854D+02 -0.675210D+01 -0.682096D+01
      2  -0.684784D+00  0.136368D+01  0.229778D+01  0.441229D+01  0.138766D+01
      3   0.720266D+01  0.333854D+01 -0.255832D+02  0.233981D+01  0.543330D+01
      4  -0.345309D+01 -0.315353D+01  0.141780D+01  0.168455D+01 -0.430397D+00
      5   0.920803D+00 -0.755263D+00 -0.127318D+02 -0.485101D+01  0.524806D+01
      6  -0.238091D+01 -0.376441D+01  0.247777D+01 -0.669439D-01 -0.264657D+01
               141           142           143           144           145 
      1   0.773258D+01  0.110376D+02  0.431803D+01 -0.403295D+02  0.979716D+01
      2   0.292125D+01 -0.365453D+01  0.151497D+01 -0.141689D+02 -0.329837D+01
      3  -0.106538D+02 -0.738304D+01 -0.583300D+01  0.544984D+02 -0.649879D+01
      4   0.710909D+01 -0.208561D+00  0.679511D+01 -0.737998D+01  0.615780D+01
      5  -0.111941D+02  0.535899D+01 -0.505435D+01  0.399353D+02  0.510211D+01
      6   0.871005D+01 -0.295970D+00  0.741754D+01 -0.724996D+01  0.194093D+01
               146           147           148           149           150 
      1   0.519179D+01  0.453005D+01  0.121811D+02 -0.448998D+01 -0.159669D+01
      2  -0.184896D+01 -0.748446D+00 -0.608956D+01  0.140132D+02 -0.281761D+01
      3  -0.334283D+01 -0.378160D+01 -0.609158D+01 -0.952322D+01  0.441430D+01
      4   0.722128D+01  0.555012D+00  0.149902D+02  0.512195D+02  0.900677D+01
      5   0.197610D+01 -0.232770D+00  0.115924D+02  0.929577D+01  0.138901D+02
      6   0.194560D+01  0.164950D+00  0.557851D+01  0.244173D+02  0.811544D+01
               151           152           153           154           155 
      1  -0.389754D+00 -0.145540D+01 -0.535961D+01  0.203966D+03  0.222926D+02
      2   0.104918D+01 -0.886618D+00  0.155761D+01 -0.983028D+02 -0.852144D+01
      3  -0.659430D+00  0.234201D+01  0.380200D+01 -0.105664D+03 -0.137712D+02
      4   0.361032D+00  0.526605D+00  0.415644D+01  0.226049D+02  0.354505D+02
      5  -0.458839D+00  0.416961D+01  0.558771D+00 -0.390991D+02 -0.493896D+01
      6   0.867121D+00  0.450823D+01  0.170133D+01 -0.500430D+01 -0.524861D+01
               156           157           158           159           160 
      1  -0.107234D+02  0.330894D+02  0.339856D+02 -0.247640D+01 -0.116888D+02
      2   0.100969D+02 -0.143615D+02 -0.129723D+02  0.239950D+01  0.105365D+02
      3   0.626467D+00 -0.187279D+02 -0.210133D+02  0.768993D-01  0.115231D+01
      4  -0.203891D+01  0.475365D+02  0.257653D+02 -0.413813D+01 -0.341056D+01
      5   0.374640D+02 -0.948341D+01 -0.863979D+01  0.958082D+01  0.369108D+02
      6  -0.159021D+00 -0.937872D+01 -0.493599D+01  0.505658D+01  0.216215D+01
               161           162           163           164           165 
      1  -0.194470D+01  0.210419D+02  0.516229D+02  0.416711D+01 -0.165001D+02
      2   0.156211D+01 -0.150386D+02 -0.365633D+02 -0.134886D+01  0.102642D+02
      3   0.382595D+00 -0.600323D+01 -0.150595D+02 -0.281825D+01  0.623593D+01
      4  -0.189545D+01  0.494927D+01 -0.159033D+01  0.728043D+01  0.367716D+01
      5   0.674578D+01 -0.697673D+01 -0.356323D+02  0.150857D+01  0.182200D+02
      6   0.438887D+01 -0.167015D+01  0.707113D+00 -0.142336D+01 -0.113618D+01
               166           167           168           169           170 
      1   0.128063D+02 -0.812165D+01 -0.363526D+01  0.227941D+01 -0.298837D+01
      2  -0.672192D+01  0.283268D+01  0.242570D+01  0.139585D+01  0.614940D+00
      3  -0.608442D+01  0.528897D+01  0.120956D+01 -0.367526D+01  0.237343D+01
      4   0.381162D+01 -0.481250D+01 -0.115453D+02  0.515149D+01 -0.675414D+01
      5  -0.440058D+01 -0.111088D+02 -0.803873D+00  0.149065D+02 -0.709028D+01
      6  -0.121261D+01  0.440269D+01  0.117633D+02 -0.378467D+01  0.120115D+02
               171           172           173           174           175 
      1  -0.341047D+02 -0.507216D+02 -0.573774D+01 -0.549735D+01 -0.906736D+01
      2  -0.109626D+02  0.323965D+02  0.274695D+01 -0.512115D+01  0.549581D+01
      3   0.450673D+02  0.183250D+02  0.299079D+01  0.106185D+02  0.357155D+01
      4  -0.858734D+01  0.231404D+01 -0.475096D+01 -0.314743D+01  0.561747D+00
      5  -0.444042D+02  0.276632D+02 -0.162515D+01 -0.160021D+02  0.266631D+01
      6   0.992556D+01 -0.452811D-01  0.418025D+01  0.401348D+01  0.733870D+00
               176           177           178           179           180 
      1  -0.626504D+01 -0.227509D+01  0.110240D+02 -0.710709D+00 -0.977739D+01
      2   0.423629D+01  0.755531D+00 -0.127593D+02  0.328138D+00  0.529567D+01
      3   0.202875D+01  0.151955D+01  0.173527D+01  0.382571D+00  0.448172D+01
      4  -0.223211D+01 -0.320724D+01 -0.209814D+01  0.799133D+00  0.873149D+00
      5  -0.220886D+01 -0.217399D+01 -0.125449D+02  0.613553D+00  0.362054D+01
      6   0.246279D+01  0.359096D+01  0.333922D+01  0.831452D+00  0.113213D+00
               181           182           183           184           185 
      1   0.139917D+01 -0.543478D+02  0.350928D+01  0.955062D+02  0.269776D+02
      2   0.124093D+01  0.387754D+02 -0.151019D+00 -0.664503D+02 -0.233277D+02
      3  -0.264009D+01  0.155723D+02 -0.335826D+01 -0.290559D+02 -0.364994D+01
      4  -0.147786D+02  0.478957D+02 -0.684718D+01  0.166493D+02 -0.387468D+02
      5  -0.567523D+01 -0.907792D+01  0.207071D+02  0.570493D+01  0.772457D+01
      6  -0.403309D+01 -0.275558D+01  0.120018D+02  0.644048D+01  0.293451D+01
               186           187           188           189           190 
      1   0.328439D+01 -0.145086D+02 -0.878387D+01  0.457572D+01  0.132721D+03
      2  -0.232231D+01  0.130215D+02  0.720802D+01 -0.946624D+01 -0.675908D+02
      3  -0.962083D+00  0.148710D+01  0.157584D+01  0.489052D+01 -0.651298D+02
      4   0.845855D+01 -0.240504D+01  0.111586D+02  0.171613D+02 -0.525652D-01
      5   0.883238D+01  0.323738D+02  0.155790D+02 -0.243861D+01 -0.301209D+01
      6   0.299590D+01  0.162811D+02  0.840648D+01  0.306385D+01 -0.152553D+01
               191           192           193           194           195 
      1   0.213413D+02  0.502569D+01 -0.488942D+02 -0.229259D+02  0.161019D+01
      2  -0.103155D+02 -0.163002D+01  0.431220D+02  0.282943D+02 -0.367150D+01
      3  -0.110258D+02 -0.339567D+01  0.577221D+01 -0.536836D+01  0.206131D+01
      4   0.342646D+02 -0.256431D+01 -0.177265D+02  0.618390D+02 -0.836964D+01
      5  -0.222937D+01  0.554518D+01  0.488448D+01 -0.741653D+01 -0.728801D+00
      6  -0.256195D+01 -0.409591D+01 -0.695740D+01 -0.411204D+01 -0.468261D+01
               196           197           198           199           200 
      1   0.656188D+01  0.645603D+01  0.260887D+02 -0.114109D+03 -0.475501D+01
      2  -0.620946D+01 -0.538994D+01 -0.230538D+02  0.439456D+02 -0.216857D+01
      3  -0.352422D+00 -0.106609D+01 -0.303486D+01  0.701630D+02  0.692359D+01
      4   0.800310D+01 -0.388265D+01 -0.751849D+00 -0.618026D+01 -0.328848D+02
      5   0.534510D+02  0.413146D+01  0.417055D+01 -0.184690D+01  0.755286D+01
      6  -0.164265D+01  0.435051D+01  0.146900D+01  0.701378D+01  0.183504D+00
               201           202           203           204           205 
      1  -0.592052D+01 -0.735441D+02 -0.444783D+01 -0.609678D+01  0.186608D-01
      2   0.284236D+01  0.455597D+02 -0.111960D+02  0.585881D+01 -0.228846D+01
      3   0.307816D+01  0.279844D+02  0.156438D+02  0.237975D+00  0.226980D+01
      4   0.558739D+01  0.244179D+01 -0.205964D+02 -0.194834D+01  0.187575D+01
      5   0.256205D+01 -0.186444D+01 -0.282010D+01 -0.109451D+02  0.201553D+01
      6   0.604978D+00 -0.138587D+01  0.642693D+01  0.639927D+01 -0.241387D+01
               206           207           208           209           210 
      1   0.463081D+00 -0.217063D+02 -0.110146D+02 -0.301679D+02 -0.153658D+01
      2   0.395697D+01  0.366445D+01  0.368792D+01  0.155404D+02 -0.907451D+00
      3  -0.442005D+01  0.180419D+02  0.732669D+01  0.146275D+02  0.244403D+01
      4  -0.774717D+01 -0.234849D+02 -0.251463D+02  0.893068D+01  0.554145D-01
      5  -0.257033D+02  0.348929D+01  0.271186D+01  0.469777D+00  0.270968D+02
      6   0.169236D+02 -0.108269D+01  0.101247D+00  0.219301D+01  0.348607D+01
               211           212           213           214           215 
      1   0.271318D+01  0.117797D+02 -0.235322D+01 -0.175355D+01 -0.304452D+01
      2  -0.670868D+01 -0.288382D+01  0.196541D+01 -0.136697D+00  0.245605D+01
      3   0.399550D+01 -0.889587D+01  0.387811D+00  0.189025D+01  0.588478D+00
      4   0.369184D+02 -0.200751D+02  0.454146D+01 -0.452995D+01  0.127325D+01
      5  -0.523064D+01  0.277286D+01  0.796962D+01  0.792273D+01 -0.569927D+01
      6   0.183735D+01 -0.450827D+00  0.749032D+01 -0.320640D+01  0.435767D+01
               216           217           218           219           220 
      1   0.191015D+00 -0.284330D+02  0.536442D+02 -0.504528D+01  0.519020D+02
      2   0.817765D+00  0.166157D+02 -0.276055D+02  0.307560D+01 -0.227971D+02
      3  -0.100878D+01  0.118173D+02 -0.260387D+02  0.196967D+01 -0.291050D+02
      4  -0.661754D+01  0.533990D+02 -0.760704D+01  0.792807D+01 -0.384304D+02
      5   0.334968D+01 -0.614849D+01  0.821733D+01 -0.187797D+02  0.122774D+02
      6  -0.168345D+01  0.323141D+01 -0.205571D+00 -0.244086D+01 -0.290639D+01
               221           222           223           224           225 
      1  -0.141405D+02  0.156652D+02 -0.246989D+01  0.124775D+02 -0.121049D+02
      2   0.832446D+01 -0.679518D+01 -0.656510D-01 -0.597789D+01  0.716392D+01
      3   0.581607D+01 -0.887005D+01  0.253554D+01 -0.649958D+01  0.494099D+01
      4  -0.193010D+02 -0.135496D+02  0.102324D+02 -0.925570D+01 -0.501227D+02
      5  -0.126033D+02 -0.741988D+02 -0.353947D+02 -0.514474D+02  0.149871D+02
      6  -0.373562D+01 -0.134746D+02 -0.113058D+02 -0.101317D+02 -0.133310D+01
               226           227           228           229           230 
      1  -0.419854D+01  0.125718D+02 -0.192725D+01  0.238183D+01 -0.505435D+02
      2   0.553957D+01 -0.114271D+02  0.134438D+01 -0.918575D+00  0.642415D+02
      3  -0.134104D+01 -0.114466D+01  0.582870D+00 -0.146325D+01 -0.136980D+02
      4   0.269783D+01  0.490558D+01 -0.754298D-02  0.433005D+01  0.264388D+02
      5  -0.598902D+00  0.186253D+00  0.118862D+01 -0.307117D+00 -0.521468D+01
      6  -0.101721D+01  0.194897D+01 -0.130752D+01 -0.230833D+00 -0.981200D+01
               231           232           233           234           235 
      1   0.565539D+01 -0.805253D+00  0.662616D+01 -0.213163D+01  0.378777D+02
      2  -0.537681D+01  0.486239D+00 -0.735887D+01  0.246987D+01 -0.120922D+02
      3  -0.278588D+00  0.319014D+00  0.732714D+00 -0.338241D+00 -0.257855D+02
      4  -0.311775D+01  0.195028D-01 -0.296949D+01 -0.105142D+01  0.371319D+02
      5   0.293704D+01  0.169082D+01 -0.328219D+00  0.711071D-01 -0.140457D+01
      6   0.798339D+01 -0.545485D-01  0.324546D+01 -0.162218D+01  0.477879D-01
               236           237           238           239           240 
      1   0.170758D+02  0.760958D+00  0.255504D+02  0.103563D+02  0.911792D-01
      2  -0.227333D+01 -0.340538D+00 -0.220525D+01  0.776500D+01  0.669670D-01
      3  -0.148025D+02 -0.420420D+00 -0.233451D+02 -0.181213D+02 -0.158146D+00
      4   0.261975D+02  0.163039D+00  0.391824D+02  0.379652D+02 -0.762227D+00
      5  -0.119796D+01  0.368764D+01 -0.284516D+01 -0.269537D+01  0.490546D+01
      6  -0.206486D+00  0.189274D+01 -0.130341D+01 -0.941175D+00  0.378384D+01
               241           242           243           244           245 
      1   0.228759D+00  0.132445D+00 -0.114458D+01 -0.193216D+01 -0.521808D+01
      2  -0.961780D+00 -0.682368D+00  0.102096D+01  0.540480D+01 -0.173411D+01
      3   0.733021D+00  0.549923D+00  0.123615D+00 -0.347264D+01  0.695219D+01
      4  -0.128211D+01 -0.171875D+01  0.135721D+01 -0.153550D+02  0.174579D+02
      5  -0.214535D+01  0.100562D+01 -0.540635D+00  0.121150D+01 -0.180797D+01
      6  -0.102620D+01  0.112262D+01 -0.510603D+00 -0.978439D+00  0.135798D+01
               246           247           248           249           250 
      1   0.155692D+00 -0.147099D+01 -0.207670D+02  0.249015D+01 -0.161011D+00
      2   0.223003D+00 -0.868527D+01  0.371059D+02 -0.312350D+01  0.805263D+00
      3  -0.378695D+00  0.101563D+02 -0.163389D+02  0.633348D+00 -0.644253D+00
      4  -0.256866D+01  0.245741D+02 -0.524301D+02  0.616195D+01 -0.354252D+01
      5   0.271911D+01 -0.208979D+01  0.366928D+01 -0.572635D+01  0.192431D+01
      6  -0.144975D+01  0.185975D+01 -0.530609D+01  0.695649D+01 -0.232414D+01
               251           252           253           254           255 
      1   0.169311D+01 -0.143581D+01  0.181815D+02  0.515200D+01 -0.156948D+02
      2  -0.349375D+01  0.265453D+01 -0.972179D+01 -0.223618D+01  0.771784D+01
      3   0.180063D+01 -0.121872D+01 -0.845972D+01 -0.291582D+01  0.797700D+01
      4   0.700467D+01 -0.148452D+01  0.634320D+01  0.538203D+01 -0.715112D+01
      5  -0.226148D+00  0.991777D+00 -0.185829D+02 -0.691799D+01  0.863980D+01
      6   0.269862D+01 -0.168478D+01 -0.274004D+01 -0.865986D+00  0.287650D+00
               256           257           258           259           260 
      1   0.214464D+02  0.110568D+02 -0.100703D+02 -0.514425D+02 -0.105456D+02
      2  -0.108883D+02 -0.349593D+01  0.421769D+01  0.296425D+02  0.515697D+01
      3  -0.105581D+02 -0.756086D+01  0.585256D+01  0.218000D+02  0.538867D+01
      4   0.255253D+02  0.242138D+02 -0.173736D+02 -0.208543D+02 -0.211189D+02
      5  -0.186137D+02 -0.180738D+02  0.317803D+02  0.444100D+02  0.282421D+02
      6  -0.358238D+01 -0.437570D+01  0.753946D+01  0.721008D+01  0.716365D+01
               261           262           263           264           265 
      1   0.175336D+02  0.994325D+01  0.464997D+01  0.132613D+02  0.211115D+02
      2  -0.157535D+02 -0.584914D+01 -0.212645D+01 -0.612924D+01 -0.109966D+02
      3  -0.178017D+01 -0.409411D+01 -0.252352D+01 -0.713205D+01 -0.101149D+02
      4   0.268777D+02  0.460136D+01  0.366859D+01  0.328582D+01  0.292651D+02
      5  -0.624050D+02  0.129962D+02  0.294597D+01  0.243707D+01  0.188094D+02
      6  -0.800252D+01  0.241641D+01  0.108655D+00 -0.483051D+00  0.673413D+01
               266           267           268           269           270 
      1   0.812893D+01  0.410679D+01  0.366951D+02  0.324581D+01  0.815105D+01
      2  -0.124213D+01 -0.285577D+01 -0.215326D+02 -0.268123D+01 -0.123059D+02
      3  -0.688680D+01 -0.125102D+01 -0.151624D+02 -0.564575D+00  0.415483D+01
      4   0.374285D+02  0.273034D+02  0.181908D+02  0.269726D+02  0.312770D+02
      5   0.268539D+02  0.372036D+02  0.360142D+02  0.316516D+02  0.487296D+02
      6   0.998464D+01  0.108326D+02  0.845120D+01  0.102849D+02  0.114313D+02
               271           272           273           274           275 
      1   0.168251D+03 -0.388933D+02  0.139448D+02 -0.796340D+02  0.293861D+02
      2  -0.865251D+02  0.195958D+02 -0.816502D+01  0.398311D+02 -0.131186D+02
      3  -0.817259D+02  0.192975D+02 -0.577982D+01  0.398029D+02 -0.162675D+02
      4  -0.465342D+02  0.236626D+02 -0.432615D+01  0.394856D+02 -0.282543D+02
      5   0.173021D+02 -0.421539D+01  0.181993D+02 -0.846746D+01  0.499029D+01
      6  -0.180870D+01  0.995025D+00 -0.102531D+01  0.181680D+01 -0.127215D+01
               276           277           278           279 
      1  -0.695798D+01  0.176820D+02 -0.458437D+01  0.166388D+02
      2   0.400789D+01 -0.104666D+02  0.265753D+01 -0.987381D+01
      3   0.295009D+01 -0.721542D+01  0.192684D+01 -0.676502D+01
      4   0.518122D+01 -0.540334D+01  0.452022D+01 -0.172387D+01
      5  -0.766995D+01  0.245511D+02 -0.149336D+01  0.549145D+01
      6   0.243774D+01 -0.179123D+01  0.289179D+01 -0.582784D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 15:45:45 2021, MaxMem=  5368709120 cpu:          130695.9 elap:           16358.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31566 -19.31471 -19.25653 -10.43012 -10.37486
 Alpha  occ. eigenvalues --  -10.36099 -10.33037 -10.32493 -10.32454 -10.32040
 Alpha  occ. eigenvalues --  -10.31986 -10.31815 -10.31717 -10.31493 -10.31421
 Alpha  occ. eigenvalues --  -10.30508 -10.29430  -1.20992  -1.18747  -1.12751
 Alpha  occ. eigenvalues --   -0.99923  -0.95475  -0.90845  -0.89280  -0.85103
 Alpha  occ. eigenvalues --   -0.84930  -0.80285  -0.76186  -0.74287  -0.71575
 Alpha  occ. eigenvalues --   -0.71084  -0.69360  -0.63984  -0.63155  -0.62132
 Alpha  occ. eigenvalues --   -0.59456  -0.57297  -0.57124  -0.56912  -0.55029
 Alpha  occ. eigenvalues --   -0.54679  -0.53394  -0.52002  -0.51555  -0.51106
 Alpha  occ. eigenvalues --   -0.50327  -0.50106  -0.48798  -0.48094  -0.45819
 Alpha  occ. eigenvalues --   -0.45117  -0.44757  -0.44057  -0.43151  -0.41893
 Alpha  occ. eigenvalues --   -0.40820  -0.40393  -0.38145  -0.35752  -0.32431
 Alpha  occ. eigenvalues --   -0.29164
 Alpha virt. eigenvalues --    0.00321   0.02724   0.03414   0.03616   0.03889
 Alpha virt. eigenvalues --    0.04612   0.04870   0.05372   0.05838   0.06173
 Alpha virt. eigenvalues --    0.06393   0.06787   0.07236   0.08099   0.08219
 Alpha virt. eigenvalues --    0.08696   0.08985   0.09796   0.10321   0.10952
 Alpha virt. eigenvalues --    0.11110   0.11390   0.12246   0.12294   0.12928
 Alpha virt. eigenvalues --    0.13166   0.13405   0.13774   0.13888   0.14081
 Alpha virt. eigenvalues --    0.14340   0.14672   0.15007   0.15285   0.15463
 Alpha virt. eigenvalues --    0.15847   0.16302   0.16440   0.16941   0.17340
 Alpha virt. eigenvalues --    0.17682   0.17819   0.18233   0.18441   0.18805
 Alpha virt. eigenvalues --    0.19156   0.19512   0.19538   0.20076   0.20812
 Alpha virt. eigenvalues --    0.20909   0.21378   0.22126   0.22608   0.22813
 Alpha virt. eigenvalues --    0.23309   0.23788   0.24275   0.24598   0.24983
 Alpha virt. eigenvalues --    0.25145   0.25408   0.26350   0.26405   0.26931
 Alpha virt. eigenvalues --    0.27369   0.27665   0.27792   0.28594   0.28711
 Alpha virt. eigenvalues --    0.28982   0.29275   0.29855   0.30037   0.30313
 Alpha virt. eigenvalues --    0.30646   0.30792   0.31078   0.31315   0.31523
 Alpha virt. eigenvalues --    0.31719   0.32511   0.32781   0.32978   0.33346
 Alpha virt. eigenvalues --    0.33796   0.34385   0.34627   0.34799   0.35333
 Alpha virt. eigenvalues --    0.35600   0.35717   0.36270   0.36592   0.36669
 Alpha virt. eigenvalues --    0.36849   0.37596   0.37788   0.38118   0.38816
 Alpha virt. eigenvalues --    0.38987   0.39575   0.39757   0.40143   0.40477
 Alpha virt. eigenvalues --    0.41055   0.41558   0.41750   0.42428   0.42845
 Alpha virt. eigenvalues --    0.43077   0.43829   0.44197   0.44613   0.44783
 Alpha virt. eigenvalues --    0.45522   0.46064   0.46298   0.46874   0.47289
 Alpha virt. eigenvalues --    0.47587   0.47976   0.48229   0.48640   0.49306
 Alpha virt. eigenvalues --    0.50084   0.50528   0.51031   0.52105   0.52567
 Alpha virt. eigenvalues --    0.53018   0.53277   0.53754   0.54130   0.54913
 Alpha virt. eigenvalues --    0.55127   0.55633   0.56114   0.56581   0.57392
 Alpha virt. eigenvalues --    0.58039   0.58368   0.59252   0.59299   0.59684
 Alpha virt. eigenvalues --    0.59698   0.59824   0.60015   0.60438   0.61918
 Alpha virt. eigenvalues --    0.62426   0.62645   0.63020   0.63116   0.63706
 Alpha virt. eigenvalues --    0.64040   0.64431   0.64676   0.65072   0.65638
 Alpha virt. eigenvalues --    0.66041   0.66346   0.66611   0.67555   0.68056
 Alpha virt. eigenvalues --    0.68571   0.68925   0.69271   0.69562   0.70309
 Alpha virt. eigenvalues --    0.70631   0.70762   0.71261   0.71814   0.72105
 Alpha virt. eigenvalues --    0.72720   0.72991   0.73364   0.73879   0.74212
 Alpha virt. eigenvalues --    0.74529   0.75167   0.75354   0.75701   0.76359
 Alpha virt. eigenvalues --    0.76672   0.77262   0.78012   0.78216   0.78594
 Alpha virt. eigenvalues --    0.79280   0.79733   0.80806   0.80969   0.81617
 Alpha virt. eigenvalues --    0.82008   0.82394   0.82770   0.83064   0.83544
 Alpha virt. eigenvalues --    0.84079   0.84886   0.85132   0.85411   0.85847
 Alpha virt. eigenvalues --    0.86518   0.86845   0.87912   0.88070   0.88255
 Alpha virt. eigenvalues --    0.88917   0.90055   0.90597   0.91621   0.91766
 Alpha virt. eigenvalues --    0.92398   0.92672   0.92985   0.93949   0.94229
 Alpha virt. eigenvalues --    0.95303   0.96350   0.96978   0.98469   0.98830
 Alpha virt. eigenvalues --    0.99967   1.00892   1.01517   1.02355   1.03120
 Alpha virt. eigenvalues --    1.04033   1.04498   1.06016   1.06550   1.07710
 Alpha virt. eigenvalues --    1.07955   1.09647   1.10953   1.11790   1.12214
 Alpha virt. eigenvalues --    1.13368   1.14096   1.14937   1.15797   1.16339
 Alpha virt. eigenvalues --    1.17979   1.18671   1.18880   1.19932   1.21018
 Alpha virt. eigenvalues --    1.21263   1.22376   1.22723   1.23825   1.26039
 Alpha virt. eigenvalues --    1.26257   1.26793   1.28579   1.29489   1.30394
 Alpha virt. eigenvalues --    1.31815   1.32805   1.33377   1.35296   1.35629
 Alpha virt. eigenvalues --    1.36644   1.36683   1.38442   1.38773   1.40366
 Alpha virt. eigenvalues --    1.40747   1.41118   1.42010   1.44178   1.44489
 Alpha virt. eigenvalues --    1.45690   1.46005   1.46533   1.46777   1.47874
 Alpha virt. eigenvalues --    1.49253   1.49580   1.50388   1.51775   1.53272
 Alpha virt. eigenvalues --    1.53797   1.54715   1.55102   1.55710   1.56022
 Alpha virt. eigenvalues --    1.57724   1.58530   1.58692   1.60265   1.60674
 Alpha virt. eigenvalues --    1.61048   1.61707   1.61882   1.62639   1.63779
 Alpha virt. eigenvalues --    1.65300   1.65636   1.66162   1.67016   1.67610
 Alpha virt. eigenvalues --    1.67768   1.68901   1.69737   1.70948   1.71650
 Alpha virt. eigenvalues --    1.72347   1.72455   1.72792   1.73780   1.74115
 Alpha virt. eigenvalues --    1.75249   1.75792   1.76749   1.77245   1.78354
 Alpha virt. eigenvalues --    1.80073   1.80365   1.81218   1.81710   1.82731
 Alpha virt. eigenvalues --    1.83092   1.83799   1.85113   1.85958   1.87522
 Alpha virt. eigenvalues --    1.88124   1.89149   1.90574   1.91481   1.92171
 Alpha virt. eigenvalues --    1.92939   1.93986   1.94995   1.96410   1.97225
 Alpha virt. eigenvalues --    1.98498   1.99270   1.99516   1.99939   2.01515
 Alpha virt. eigenvalues --    2.02147   2.03064   2.03596   2.03947   2.04538
 Alpha virt. eigenvalues --    2.05337   2.05903   2.06909   2.07297   2.08533
 Alpha virt. eigenvalues --    2.08971   2.10072   2.10742   2.11261   2.11959
 Alpha virt. eigenvalues --    2.12282   2.12854   2.14193   2.15875   2.16126
 Alpha virt. eigenvalues --    2.17985   2.18478   2.18727   2.20497   2.21110
 Alpha virt. eigenvalues --    2.22215   2.22584   2.24707   2.25078   2.25561
 Alpha virt. eigenvalues --    2.27085   2.28199   2.29859   2.31077   2.31645
 Alpha virt. eigenvalues --    2.32315   2.34482   2.35183   2.36587   2.37089
 Alpha virt. eigenvalues --    2.38766   2.40871   2.42537   2.43093   2.43523
 Alpha virt. eigenvalues --    2.45142   2.45884   2.46971   2.48751   2.49885
 Alpha virt. eigenvalues --    2.50951   2.53590   2.57134   2.58820   2.60137
 Alpha virt. eigenvalues --    2.63130   2.63642   2.64394   2.67110   2.68721
 Alpha virt. eigenvalues --    2.69323   2.70025   2.73061   2.73867   2.77205
 Alpha virt. eigenvalues --    2.78184   2.80551   2.83285   2.84592   2.85241
 Alpha virt. eigenvalues --    2.86612   2.88908   2.92415   2.94467   2.96897
 Alpha virt. eigenvalues --    3.00535   3.01194   3.03413   3.04778   3.12129
 Alpha virt. eigenvalues --    3.19545   3.25247   3.28267   3.33066   3.41710
 Alpha virt. eigenvalues --    3.44846   3.46413   3.48898   3.49596   3.50309
 Alpha virt. eigenvalues --    3.51202   3.55190   3.55707   3.56003   3.58976
 Alpha virt. eigenvalues --    3.59323   3.62108   3.63412   3.67036   3.75191
 Alpha virt. eigenvalues --    3.84576   3.86293   3.90171   3.92482   4.01988
 Alpha virt. eigenvalues --    4.11199   4.49003   4.71817
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   41.272721 -11.918352 -11.551433   3.315493  -3.290030   4.374222
     2  C  -11.918352  41.264021   2.634680  -0.593752   5.884858 -10.005981
     3  C  -11.551433   2.634680  39.418673 -14.559253  -0.079643  -3.968072
     4  C    3.315493  -0.593752 -14.559253  27.147629  -7.071263   4.623401
     5  C   -3.290030   5.884858  -0.079643  -7.071263  32.711215 -18.647054
     6  C    4.374222 -10.005981  -3.968072   4.623401 -18.647054  36.996713
     7  C   -7.756672  -6.767198  -1.100433  -3.107515  -0.343595  -0.710499
     8  H    1.412817  -0.722313  -4.546699   1.319867   0.297386  -0.092573
     9  H   -0.012872  -0.706102   0.186419   0.792225  -3.829055   2.043027
    10  H   -0.606706   1.244755   0.045886  -0.865553   2.582435  -4.480086
    11  C    0.562946  -1.148222   0.402186  -5.195416  -2.465066   1.422701
    12  C    0.130267  -0.058936  -0.191213  -0.217585  -0.447439   0.064685
    13  C   -0.023710  -0.032352  -0.312877   0.222786  -0.447887   0.019094
    14  H   -0.037942  -0.006811  -0.338610   1.179597  -0.078783  -0.047922
    15  H    0.018579   0.046104  -0.290306   0.997883   0.004598  -0.063226
    16  H   -0.028301  -0.014871   0.270616  -0.737997   0.066458   0.030802
    17  H    0.046971  -0.077910   0.050068  -0.282617  -0.228134   0.128826
    18  O    0.006110   0.008894  -0.025628   0.143858   0.051955  -0.002708
    19  O    0.045597   0.005181  -0.062126  -0.044338  -0.010490  -0.008273
    20  H   -0.008888  -0.024657  -0.000301   0.127082  -0.083065   0.040349
    21  C    2.618000  -9.561304  -2.419086   0.595614  -0.313770  -0.072148
    22  C   -8.850842   0.232785  -0.105494  -0.252513   0.485748  -0.847407
    23  C   -5.958663  -6.050472   0.248400  -1.317687   1.288333  -7.022182
    24  O    0.270790  -0.233282   0.006322   0.016594  -0.047916  -0.043930
    25  C   -0.026551   0.051982  -0.030384   0.021066  -0.019306   0.037839
    26  H    2.027588  -0.463798  -0.194857   0.212689  -0.019015  -0.029243
    27  H   -0.434046   0.121570  -0.181438   0.014025   0.015227   0.037703
    28  H   -0.437349   1.620319  -0.109629   0.111519   0.100686   0.568666
    29  H    0.009945  -0.086714   0.000081   0.000083   0.000271   0.004904
    30  H    0.003761  -0.079162  -0.000472   0.000393   0.000367   0.003635
    31  H   -0.014462   0.141322  -0.001457   0.001746  -0.003165  -0.002908
               7          8          9         10         11         12
     1  C   -7.756672   1.412817  -0.012872  -0.606706   0.562946   0.130267
     2  C   -6.767198  -0.722313  -0.706102   1.244755  -1.148222  -0.058936
     3  C   -1.100433  -4.546699   0.186419   0.045886   0.402186  -0.191213
     4  C   -3.107515   1.319867   0.792225  -0.865553  -5.195416  -0.217585
     5  C   -0.343595   0.297386  -3.829055   2.582435  -2.465066  -0.447439
     6  C   -0.710499  -0.092573   2.043027  -4.480086   1.422701   0.064685
     7  C   43.645429   0.621707   0.082693  -0.249421  -0.006336   0.034561
     8  H    0.621707   3.762735  -0.049996   0.012291   0.207775   0.040307
     9  H    0.082693  -0.049996   3.774651  -0.341702   0.146495   0.071792
    10  H   -0.249421   0.012291  -0.341702   3.272874  -0.059968   0.012976
    11  C   -0.006336   0.207775   0.146495  -0.059968  13.992304   0.563277
    12  C    0.034561   0.040307   0.071792   0.012976   0.563277   4.632456
    13  C    0.014833   0.011265   0.096260   0.002062  -1.002861  -0.093032
    14  H    0.011500  -0.176735  -0.006268  -0.000713  -1.321620   0.051015
    15  H   -0.008337   0.004034   0.015972  -0.001166  -0.482028   0.036199
    16  H   -0.014553   0.010486   0.014625  -0.001175   0.535945   0.097323
    17  H    0.022066  -0.001104  -0.062698   0.006283   0.084878   0.428940
    18  O   -0.000545   0.003799  -0.006330   0.000468  -0.315667   0.034067
    19  O    0.005306  -0.002099   0.003465  -0.000217   0.260971  -0.013677
    20  H    0.018429  -0.018186   0.006575  -0.002794  -0.135876   0.000723
    21  C   -7.700036   0.168023  -0.027967   0.109293   0.123236   0.009643
    22  C    1.827445  -0.004801   0.032414   0.167869   0.016093   0.011020
    23  C   -9.572266   0.004946  -0.203817   1.253276  -0.402868  -0.059329
    24  O   -0.137950   0.000509   0.000187  -0.007318   0.000898  -0.000150
    25  C   -0.083381  -0.002163  -0.000415  -0.000607   0.000800   0.000159
    26  H   -3.824252  -0.237089   0.003589   0.001097   0.019544   0.002633
    27  H    0.792759   0.013337  -0.002202   0.002456  -0.005304  -0.000573
    28  H    0.219886  -0.001320  -0.003448  -0.169701   0.002684  -0.000206
    29  H    0.069962  -0.000609   0.000105  -0.000790   0.000227   0.000023
    30  H    0.067868  -0.000529   0.000102  -0.000846   0.000266   0.000026
    31  H   -0.050054  -0.000047  -0.000135   0.001548   0.000017   0.000010
              13         14         15         16         17         18
     1  C   -0.023710  -0.037942   0.018579  -0.028301   0.046971   0.006110
     2  C   -0.032352  -0.006811   0.046104  -0.014871  -0.077910   0.008894
     3  C   -0.312877  -0.338610  -0.290306   0.270616   0.050068  -0.025628
     4  C    0.222786   1.179597   0.997883  -0.737997  -0.282617   0.143858
     5  C   -0.447887  -0.078783   0.004598   0.066458  -0.228134   0.051955
     6  C    0.019094  -0.047922  -0.063226   0.030802   0.128826  -0.002708
     7  C    0.014833   0.011500  -0.008337  -0.014553   0.022066  -0.000545
     8  H    0.011265  -0.176735   0.004034   0.010486  -0.001104   0.003799
     9  H    0.096260  -0.006268   0.015972   0.014625  -0.062698  -0.006330
    10  H    0.002062  -0.000713  -0.001166  -0.001175   0.006283   0.000468
    11  C   -1.002861  -1.321620  -0.482028   0.535945   0.084878  -0.315667
    12  C   -0.093032   0.051015   0.036199   0.097323   0.428940   0.034067
    13  C    6.703777   0.073906  -0.014704  -0.066753  -0.028998   0.294079
    14  H    0.073906   2.121186  -0.018659  -0.093502   0.095888   0.033958
    15  H   -0.014704  -0.018659   1.709306  -0.367246  -0.360239   0.003988
    16  H   -0.066753  -0.093502  -0.367246   1.721551  -0.250678   0.014189
    17  H   -0.028998   0.095888  -0.360239  -0.250678   1.567182   0.030314
    18  O    0.294079   0.033958   0.003988   0.014189   0.030314   8.368791
    19  O   -0.279148   0.001046  -0.003951   0.005517   0.010370  -0.103234
    20  H    0.003962   0.021278   0.000156  -0.001133  -0.000250   0.015126
    21  C   -0.004940   0.022055  -0.001879   0.000482   0.003978   0.000359
    22  C    0.008750   0.000678   0.001170   0.000836  -0.002023  -0.000164
    23  C   -0.046016  -0.023620   0.002638  -0.001516  -0.025842   0.000700
    24  O   -0.000095  -0.000036  -0.000014   0.000024   0.000000   0.000000
    25  C    0.000042   0.000069  -0.000002   0.000047   0.000052   0.000001
    26  H    0.004632   0.013745   0.000425  -0.001706   0.000020  -0.000143
    27  H   -0.001017   0.000042  -0.000038   0.000018   0.000023   0.000032
    28  H   -0.000139   0.000688   0.000219  -0.000290  -0.000442   0.000039
    29  H    0.000037   0.000008   0.000003  -0.000002  -0.000005  -0.000000
    30  H    0.000029   0.000003   0.000002   0.000002  -0.000004  -0.000000
    31  H   -0.000000   0.000008  -0.000001   0.000005   0.000009   0.000000
              19         20         21         22         23         24
     1  C    0.045597  -0.008888   2.618000  -8.850842  -5.958663   0.270790
     2  C    0.005181  -0.024657  -9.561304   0.232785  -6.050472  -0.233282
     3  C   -0.062126  -0.000301  -2.419086  -0.105494   0.248400   0.006322
     4  C   -0.044338   0.127082   0.595614  -0.252513  -1.317687   0.016594
     5  C   -0.010490  -0.083065  -0.313770   0.485748   1.288333  -0.047916
     6  C   -0.008273   0.040349  -0.072148  -0.847407  -7.022182  -0.043930
     7  C    0.005306   0.018429  -7.700036   1.827445  -9.572266  -0.137950
     8  H   -0.002099  -0.018186   0.168023  -0.004801   0.004946   0.000509
     9  H    0.003465   0.006575  -0.027967   0.032414  -0.203817   0.000187
    10  H   -0.000217  -0.002794   0.109293   0.167869   1.253276  -0.007318
    11  C    0.260971  -0.135876   0.123236   0.016093  -0.402868   0.000898
    12  C   -0.013677   0.000723   0.009643   0.011020  -0.059329  -0.000150
    13  C   -0.279148   0.003962  -0.004940   0.008750  -0.046016  -0.000095
    14  H    0.001046   0.021278   0.022055   0.000678  -0.023620  -0.000036
    15  H   -0.003951   0.000156  -0.001879   0.001170   0.002638  -0.000014
    16  H    0.005517  -0.001133   0.000482   0.000836  -0.001516   0.000024
    17  H    0.010370  -0.000250   0.003978  -0.002023  -0.025842   0.000000
    18  O   -0.103234   0.015126   0.000359  -0.000164   0.000700   0.000000
    19  O    8.447798   0.237833  -0.000451   0.002539  -0.010598  -0.000015
    20  H    0.237833   0.633954  -0.003642   0.003810  -0.011070  -0.000029
    21  C   -0.000451  -0.003642  24.870468  -3.986815   1.484630   0.955854
    22  C    0.002539   0.003810  -3.986815  20.934639  -4.040733  -1.260948
    23  C   -0.010598  -0.011070   1.484630  -4.040733  39.682833   0.136751
    24  O   -0.000015  -0.000029   0.955854  -1.260948   0.136751   9.400323
    25  C    0.000017   0.000083  -0.039475   0.111244  -0.157369   0.123298
    26  H    0.000521   0.000066   1.816598  -0.429500   0.103196   0.002826
    27  H   -0.000061  -0.000244  -2.677660   1.025823   0.139570  -0.165136
    28  H    0.000153   0.000282  -0.314318   0.840636  -3.410810  -0.120924
    29  H    0.000001   0.000007   0.115912  -0.347424   0.139797   0.157094
    30  H    0.000004   0.000012   0.105618  -0.330542   0.137064   0.152788
    31  H    0.000001   0.000008  -0.246080   0.757278  -0.324697  -0.496584
              25         26         27         28         29         30
     1  C   -0.026551   2.027588  -0.434046  -0.437349   0.009945   0.003761
     2  C    0.051982  -0.463798   0.121570   1.620319  -0.086714  -0.079162
     3  C   -0.030384  -0.194857  -0.181438  -0.109629   0.000081  -0.000472
     4  C    0.021066   0.212689   0.014025   0.111519   0.000083   0.000393
     5  C   -0.019306  -0.019015   0.015227   0.100686   0.000271   0.000367
     6  C    0.037839  -0.029243   0.037703   0.568666   0.004904   0.003635
     7  C   -0.083381  -3.824252   0.792759   0.219886   0.069962   0.067868
     8  H   -0.002163  -0.237089   0.013337  -0.001320  -0.000609  -0.000529
     9  H   -0.000415   0.003589  -0.002202  -0.003448   0.000105   0.000102
    10  H   -0.000607   0.001097   0.002456  -0.169701  -0.000790  -0.000846
    11  C    0.000800   0.019544  -0.005304   0.002684   0.000227   0.000266
    12  C    0.000159   0.002633  -0.000573  -0.000206   0.000023   0.000026
    13  C    0.000042   0.004632  -0.001017  -0.000139   0.000037   0.000029
    14  H    0.000069   0.013745   0.000042   0.000688   0.000008   0.000003
    15  H   -0.000002   0.000425  -0.000038   0.000219   0.000003   0.000002
    16  H    0.000047  -0.001706   0.000018  -0.000290  -0.000002   0.000002
    17  H    0.000052   0.000020   0.000023  -0.000442  -0.000005  -0.000004
    18  O    0.000001  -0.000143   0.000032   0.000039  -0.000000  -0.000000
    19  O    0.000017   0.000521  -0.000061   0.000153   0.000001   0.000004
    20  H    0.000083   0.000066  -0.000244   0.000282   0.000007   0.000012
    21  C   -0.039475   1.816598  -2.677660  -0.314318   0.115912   0.105618
    22  C    0.111244  -0.429500   1.025823   0.840636  -0.347424  -0.330542
    23  C   -0.157369   0.103196   0.139570  -3.410810   0.139797   0.137064
    24  O    0.123298   0.002826  -0.165136  -0.120924   0.157094   0.152788
    25  C    4.147027   0.019720  -0.066851   0.043070   0.355768   0.354351
    26  H    0.019720   3.224292  -0.308931   0.013025   0.005423   0.005220
    27  H   -0.066851  -0.308931   3.903682  -0.041300  -0.072659  -0.070443
    28  H    0.043070   0.013025  -0.041300   2.992583   0.011065   0.011553
    29  H    0.355768   0.005423  -0.072659   0.011065   1.314064  -0.091697
    30  H    0.354351   0.005220  -0.070443   0.011553  -0.091697   1.313395
    31  H    0.192959  -0.001696   0.040322  -0.015615  -0.473432  -0.471647
              31
     1  C   -0.014462
     2  C    0.141322
     3  C   -0.001457
     4  C    0.001746
     5  C   -0.003165
     6  C   -0.002908
     7  C   -0.050054
     8  H   -0.000047
     9  H   -0.000135
    10  H    0.001548
    11  C    0.000017
    12  C    0.000010
    13  C   -0.000000
    14  H    0.000008
    15  H   -0.000001
    16  H    0.000005
    17  H    0.000009
    18  O    0.000000
    19  O    0.000001
    20  H    0.000008
    21  C   -0.246080
    22  C    0.757278
    23  C   -0.324697
    24  O   -0.496584
    25  C    0.192959
    26  H   -0.001696
    27  H    0.040322
    28  H   -0.015615
    29  H   -0.473432
    30  H   -0.471647
    31  H    2.421086
 Mulliken charges:
               1
     1  C    0.841010
     2  C    1.295717
     3  C    2.806082
     4  C   -0.598060
     5  C   -0.064860
     6  C    1.647645
     7  C   -0.001402
     8  H   -1.035021
     9  H   -1.017592
    10  H   -0.926808
    11  C    0.197989
    12  C    0.860036
    13  C    0.899014
    14  H   -0.475446
    15  H   -0.229478
    16  H   -0.189201
    17  H   -0.154924
    18  O   -0.556308
    19  O   -0.487643
    20  H    0.180401
    21  C    0.369805
    22  C   -0.001571
    23  C    0.017423
    24  O   -0.709929
    25  C    0.966913
    26  H   -0.966618
    27  H   -1.078684
    28  H   -0.911582
    29  H   -0.111451
    30  H   -0.111118
    31  H   -0.454339
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.841010
     2  C    1.295717
     3  C    1.771061
     4  C   -0.598060
     5  C   -1.082451
     6  C    0.720837
     7  C   -0.968020
    11  C   -0.277457
    12  C    0.286432
    13  C    0.899014
    18  O   -0.556308
    19  O   -0.307242
    21  C   -0.708879
    22  C   -0.001571
    23  C   -0.894159
    24  O   -0.709929
    25  C    0.290004
 Electronic spatial extent (au):  <R**2>=           5621.5311
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8203    Y=             -2.0045    Z=              1.8452  Tot=              6.4264
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -110.6741   YY=            -91.0614   ZZ=           -105.6907
   XY=              2.8963   XZ=             11.1501   YZ=             -0.6442
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.1987   YY=             11.4139   ZZ=             -3.2153
   XY=              2.8963   XZ=             11.1501   YZ=             -0.6442
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -269.6731  YYY=              1.5440  ZZZ=             -4.2305  XYY=              5.5894
  XXY=            -42.9203  XXZ=             44.8317  XZZ=             -6.0086  YZZ=             -1.7646
  YYZ=             -2.4149  XYZ=             -0.1441
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6386.8627 YYYY=           -594.8841 ZZZZ=           -490.1123 XXXY=             55.4121
 XXXZ=            243.4221 YYYX=             -7.8740 YYYZ=             -7.5308 ZZZX=             11.0329
 ZZZY=              2.0176 XXYY=          -1115.0202 XXZZ=          -1186.9841 YYZZ=           -198.7238
 XXYZ=              1.8540 YYXZ=             -6.0643 ZZXY=             -3.3985
 N-N= 1.131783818237D+03 E-N=-4.051182705263D+03  KE= 7.630502081705D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 15:45:46 2021, MaxMem=  5368709120 cpu:               5.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.8515   -5.8484        7.5295    7.5336
 2      5.8515    5.8484        1.8708    1.8706      -71.1890  -71.1827
 3     -7.5295   -7.5336       94.9691   94.9549       -1.8699   -1.8706
 4     -1.8708   -1.8706        0.0000    0.0000       -7.5327   -7.5336
 5    -23.7801  -23.7722        7.5327    7.5336       -5.8516   -5.8484
 6      1.8699    1.8706        5.8516    5.8484        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       17.5452   17.5452       22.6007   22.6007
 2     -5.6117   -5.6117        0.0000    0.0000       22.6007   22.6007
 3     -5.6117   -5.6117       17.5453   17.5452       -0.0000    0.0000
 4     17.5453   17.5452        5.6117    5.6117     -213.5480 -213.5480
 5    -22.6007  -22.6007      284.8647  284.8647       -5.6117   -5.6117
 6    -71.3166  -71.3166       22.6007   22.6007      -17.5452  -17.5452
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.1808    0.0000       23.1801   23.3937      -30.0758  -30.1343
 2    -23.2823  -23.3937       -7.9658   -7.4823      284.0209  284.7307
 3     29.6138   30.1343     -379.3091 -379.8196        7.6476    7.4823
 4      7.3576    7.4823        0.1823    0.0000       30.0814   30.1343
 5     95.5667   95.0889      -30.1430  -30.1343       23.1992   23.3937
 6     -7.1134   -7.4823      -23.3995  -23.3937        0.1262    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0077    0.0000       16.4729   16.6565       19.4913   19.9797
 2    -17.5015  -16.6565       86.8016   85.8567      -36.7709  -36.7841
 3    -20.4829  -19.9797        1.4969    2.4577      -87.7114  -85.8567
 4    -86.0152  -85.8567       -0.2135    0.0000      -19.7889  -19.9797
 5     34.6788   34.3265       19.6824   19.9797       16.9106   16.6565
 6     85.7660   85.8567      -16.2658  -16.6565        0.3466    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -63.4834  -63.9672       -5.7681   -5.3587      -14.3710  -14.6916
 2   -208.6421 -208.6513        5.8316    6.4532      -14.5586  -14.6916
 3   -208.7169 -208.6513       -6.0915   -5.3587      -41.3370  -41.7386
 4    -11.5768  -11.8119      143.9499  144.6841      -37.0321  -36.7516
 5    -27.4541  -27.0470      -29.1384  -28.5997     -145.8667 -144.6841
 6     65.2929   65.3513       27.9196   27.0470       12.7154   11.8119
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.6884                 0.7415                 4.0337
  Dep-P Fr= 1--      0.7474                 0.6738                 0.7500
  Dep-U Fr= 1--      0.8554                 0.8051                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0000
 Beta2  Fr= 1--      0.5259                 0.0995                 0.5762
 AlphaG Fr= 1--      0.0034                 0.0141                -0.0000
 Gamma2 Fr= 1--      0.4225                -0.6093                 0.7733
 Delta2 Fr= 1--      0.1926                -0.1852                -0.0671
 Raman1 Fr= 1--      14.754                  2.966                 16.135
 ROA1   Fr= 1--      46.720                -64.421                 72.086
 CID1   Fr= 1--       3.167                -21.720                  4.468
 Raman2 Fr= 1--       6.310                  1.194                  6.915
 ROA2   Fr= 1--       8.599                -13.142                 19.095
 CID2   Fr= 1--       1.363                -11.007                  2.761
 Raman3 Fr= 1--      12.621                  2.388                 13.830
 ROA3   Fr= 1--      46.720                -64.421                 72.086
 CID3   Fr= 1--       3.702                -26.978                  5.212
 RC180  Fr= 1--       0.711                  0.610                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9214                 0.5893                 1.2781
  Dep-P Fr= 1--      0.7285                 0.6661                 0.5687
  Dep-U Fr= 1--      0.8429                 0.7996                 0.7251
 Alpha2 Fr= 1--      0.0003                 0.0009                 0.0044
 Beta2  Fr= 1--      0.1294                 0.0785                 0.1545
 AlphaG Fr= 1--     -0.0076                 0.0073                 0.0122
 Gamma2 Fr= 1--     -0.2681                -0.7245                 2.1898
 Delta2 Fr= 1--      0.1382                -0.1264                 0.9894
 Raman1 Fr= 1--       3.686                  2.357                  5.112
 ROA1   Fr= 1--     -21.313                -73.598                241.881
 CID1   Fr= 1--      -5.783                -31.223                 47.313
 Raman2 Fr= 1--       1.553                  0.942                  1.853
 ROA2   Fr= 1--      -7.539                -16.377                 44.639
 CID2   Fr= 1--      -4.853                -17.379                 24.085
 Raman3 Fr= 1--       3.107                  1.885                  3.707
 ROA3   Fr= 1--     -21.313                -73.598                241.881
 CID3   Fr= 1--      -6.860                -39.051                 65.252
 RC180  Fr= 1--       0.686                  0.599                  0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.2307                 3.8591                 3.6274
  Dep-P Fr= 1--      0.7467                 0.3386                 0.2077
  Dep-U Fr= 1--      0.8550                 0.5059                 0.3440
 Alpha2 Fr= 1--      0.0000                 0.0351                 0.0483
 Beta2  Fr= 1--      0.0329                 0.3254                 0.2080
 AlphaG Fr= 1--      0.0001                -0.0018                 0.0154
 Gamma2 Fr= 1--     -0.2474                -1.0934                -1.0571
 Delta2 Fr= 1--      0.0412                -0.6136                -0.3160
 Raman1 Fr= 1--       0.923                 15.436                 14.510
 ROA1   Fr= 1--     -22.432               -124.604               -111.598
 CID1   Fr= 1--     -24.308                 -8.072                 -7.691
 Raman2 Fr= 1--       0.394                  3.904                  2.496
 ROA2   Fr= 1--      -6.267                -21.333                -22.843
 CID2   Fr= 1--     -15.887                 -5.464                 -9.153
 Raman3 Fr= 1--       0.789                  7.809                  4.991
 ROA3   Fr= 1--     -22.432               -124.604               -111.598
 CID3   Fr= 1--     -28.432                -15.957                -22.358
 RC180  Fr= 1--       0.710                  0.012                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.6336                 0.8750                 3.7752
  Dep-P Fr= 1--      0.2800                 0.4245                 0.4035
  Dep-U Fr= 1--      0.4375                 0.5960                 0.5750
 Alpha2 Fr= 1--      0.0178                 0.0059                 0.0276
 Beta2  Fr= 1--      0.1191                 0.0869                 0.3618
 AlphaG Fr= 1--      0.0123                 0.0042                -0.0918
 Gamma2 Fr= 1--      1.0009                -0.2122                -0.4593
 Delta2 Fr= 1--      0.0656                -0.0999                -0.3483
 Raman1 Fr= 1--       6.535                  3.500                 15.101
 ROA1   Fr= 1--      98.191                -23.567                -55.244
 CID1   Fr= 1--      15.026                 -6.733                 -3.658
 Raman2 Fr= 1--       1.430                  1.043                  4.342
 ROA2   Fr= 1--      23.498                 -4.294                 -8.238
 CID2   Fr= 1--      16.437                 -4.116                 -1.897
 Raman3 Fr= 1--       2.859                  2.086                  8.683
 ROA3   Fr= 1--      98.191                -23.567                -55.244
 CID3   Fr= 1--      34.344                -11.297                 -6.362
 RC180  Fr= 1--      -0.125                  0.192                  0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      7.1131                 5.7087                 1.3892
  Dep-P Fr= 1--      0.2542                 0.2157                 0.6628
  Dep-U Fr= 1--      0.4054                 0.3549                 0.7972
 Alpha2 Fr= 1--      0.0833                 0.0743                 0.0022
 Beta2  Fr= 1--      0.4806                 0.3376                 0.1846
 AlphaG Fr= 1--      0.0957                -0.0343                -0.0256
 Gamma2 Fr= 1--      0.0230                -0.5089                 1.5268
 Delta2 Fr= 1--      0.2304                 0.0080                 0.6751
 Raman1 Fr= 1--      28.452                 22.835                  5.557
 ROA1   Fr= 1--       9.578                -48.603                168.179
 CID1   Fr= 1--       0.337                 -2.128                 30.266
 Raman2 Fr= 1--       5.767                  4.052                  2.215
 ROA2   Fr= 1--      -1.293                -12.278                 31.243
 CID2   Fr= 1--      -0.224                 -3.030                 14.105
 Raman3 Fr= 1--      11.534                  8.103                  4.430
 ROA3   Fr= 1--       9.578                -48.603                168.179
 CID3   Fr= 1--       0.830                 -5.998                 37.964
 RC180  Fr= 1--      -0.189                 -0.290                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.6055                 0.7421                 0.0706
  Dep-P Fr= 1--      0.7228                 0.7135                 0.1570
  Dep-U Fr= 1--      0.8391                 0.8328                 0.2714
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0011
 Beta2  Fr= 1--      0.2245                 0.1030                 0.0032
 AlphaG Fr= 1--      0.0023                 0.0035                -0.0080
 Gamma2 Fr= 1--      0.2452                 0.4963                -0.1080
 Delta2 Fr= 1--      0.0037                 0.2499                -0.0600
 Raman1 Fr= 1--       6.422                  2.968                  0.282
 ROA1   Fr= 1--      23.663                 55.642                -12.283
 CID1   Fr= 1--       3.685                 18.746                -43.479
 Raman2 Fr= 1--       2.694                  1.236                  0.038
 ROA2   Fr= 1--       5.856                  9.912                 -2.111
 CID2   Fr= 1--       2.173                  8.020                -55.073
 Raman3 Fr= 1--       5.389                  2.472                  0.077
 ROA3   Fr= 1--      23.663                 55.642                -12.283
 CID3   Fr= 1--       4.391                 22.509               -160.210
 RC180  Fr= 1--       0.678                  0.666                 -0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.8431                 3.7342                19.4928
  Dep-P Fr= 1--      0.6354                 0.2789                 0.3655
  Dep-U Fr= 1--      0.7771                 0.4361                 0.5354
 Alpha2 Fr= 1--      0.0038                 0.0408                 0.1626
 Beta2  Fr= 1--      0.2387                 0.2714                 1.7393
 AlphaG Fr= 1--      0.0413                -0.1711                 0.1222
 Gamma2 Fr= 1--     -2.1061                 1.1360                 2.0016
 Delta2 Fr= 1--     -0.3514                -0.2896                 0.3967
 Raman1 Fr= 1--       7.372                 14.937                 77.971
 ROA1   Fr= 1--    -213.430                 99.787                204.849
 CID1   Fr= 1--     -28.950                  6.681                  2.627
 Raman2 Fr= 1--       2.864                  3.257                 20.872
 ROA2   Fr= 1--     -47.735                 29.580                 44.866
 CID2   Fr= 1--     -16.665                  9.082                  2.150
 Raman3 Fr= 1--       5.729                  6.514                 41.744
 ROA3   Fr= 1--    -213.430                 99.787                204.849
 CID3   Fr= 1--     -37.255                 15.318                  4.907
 RC180  Fr= 1--       0.554                 -0.128                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      4.7024                 2.8687                 3.6375
  Dep-P Fr= 1--      0.3917                 0.3517                 0.5229
  Dep-U Fr= 1--      0.5629                 0.5203                 0.6867
 Alpha2 Fr= 1--      0.0359                 0.0250                 0.0161
 Beta2  Fr= 1--      0.4412                 0.2488                 0.4163
 AlphaG Fr= 1--     -0.1362                 0.1852                -0.0697
 Gamma2 Fr= 1--     -1.7428                 0.3901                -0.4718
 Delta2 Fr= 1--     -0.2824                -0.2220                -0.3532
 Raman1 Fr= 1--      18.810                 11.475                 14.550
 ROA1   Fr= 1--    -176.346                 30.347                -56.595
 CID1   Fr= 1--      -9.375                  2.645                 -3.890
 Raman2 Fr= 1--       5.294                  2.985                  4.996
 ROA2   Fr= 1--     -39.568                 11.138                 -8.498
 CID2   Fr= 1--      -7.474                  3.731                 -1.701
 Raman3 Fr= 1--      10.588                  5.971                  9.992
 ROA3   Fr= 1--    -176.346                 30.347                -56.595
 CID3   Fr= 1--     -16.656                  5.083                 -5.664
 RC180  Fr= 1--       0.126                  0.041                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.1887                 2.2339                 0.3663
  Dep-P Fr= 1--      0.7381                 0.1557                 0.0807
  Dep-U Fr= 1--      0.8493                 0.2694                 0.1493
 Alpha2 Fr= 1--      0.0002                 0.0340                 0.0067
 Beta2  Fr= 1--      0.1683                 0.1003                 0.0091
 AlphaG Fr= 1--     -0.0047                 0.0633                -0.0552
 Gamma2 Fr= 1--      1.2521                -0.4929                 0.0488
 Delta2 Fr= 1--      0.0853                -0.2737                -0.0019
 Raman1 Fr= 1--       4.755                  8.936                  1.465
 ROA1   Fr= 1--     122.926                -56.074                  4.628
 CID1   Fr= 1--      25.854                 -6.275                  3.159
 Raman2 Fr= 1--       2.019                  1.204                  0.109
 ROA2   Fr= 1--      29.367                 -9.640                  1.187
 CID2   Fr= 1--      14.544                 -8.009                 10.850
 Raman3 Fr= 1--       4.038                  2.407                  0.219
 ROA3   Fr= 1--     122.926                -56.074                  4.628
 CID3   Fr= 1--      30.440                -23.293                 21.153
 RC180  Fr= 1--       0.699                 -0.461                 -0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     38.8000                 5.7421                24.5579
  Dep-P Fr= 1--      0.0788                 0.1036                 0.0929
  Dep-U Fr= 1--      0.1462                 0.1877                 0.1701
 Alpha2 Fr= 1--      0.7152                 0.0997                 0.4374
 Beta2  Fr= 1--      0.9452                 0.1796                 0.6962
 AlphaG Fr= 1--     -0.3754                -0.0698                 0.4403
 Gamma2 Fr= 1--     -1.9578                 0.9591                 2.0879
 Delta2 Fr= 1--      0.3754                 0.8179                -0.1021
 Raman1 Fr= 1--     155.200                 22.968                 98.232
 ROA1   Fr= 1--    -175.935                118.244                197.171
 CID1   Fr= 1--      -1.134                  5.148                  2.007
 Raman2 Fr= 1--      11.343                  2.156                  8.354
 ROA2   Fr= 1--     -49.989                 16.474                 50.926
 CID2   Fr= 1--      -4.407                  7.642                  6.096
 Raman3 Fr= 1--      22.686                  4.311                 16.708
 ROA3   Fr= 1--    -175.935                118.244                197.171
 CID3   Fr= 1--      -7.755                 27.426                 11.801
 RC180  Fr= 1--      -0.708                 -0.625                 -0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      5.8409                 0.6016                 1.1313
  Dep-P Fr= 1--      0.3604                 0.4367                 0.1871
  Dep-U Fr= 1--      0.5299                 0.6079                 0.3152
 Alpha2 Fr= 1--      0.0496                 0.0039                 0.0159
 Beta2  Fr= 1--      0.5158                 0.0610                 0.0594
 AlphaG Fr= 1--     -0.1250                -0.0037                -0.0063
 Gamma2 Fr= 1--     -0.0719                -0.5475                -0.1956
 Delta2 Fr= 1--      0.0178                 0.0137                -0.2676
 Raman1 Fr= 1--      23.364                  2.407                  4.525
 ROA1   Fr= 1--      -6.330                -52.122                -27.336
 CID1   Fr= 1--      -0.271                -21.659                 -6.041
 Raman2 Fr= 1--       6.190                  0.731                  0.713
 ROA2   Fr= 1--      -1.868                -13.249                 -2.553
 CID2   Fr= 1--      -0.302                -18.114                 -3.579
 Raman3 Fr= 1--      12.380                  1.463                  1.426
 ROA3   Fr= 1--      -6.330                -52.122                -27.336
 CID3   Fr= 1--      -0.511                -35.630                -19.164
 RC180  Fr= 1--       0.060                  0.216                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     23.7932                 2.2204                 0.7503
  Dep-P Fr= 1--      0.0813                 0.7247                 0.4614
  Dep-U Fr= 1--      0.1504                 0.8404                 0.6315
 Alpha2 Fr= 1--      0.4360                 0.0010                 0.0044
 Beta2  Fr= 1--      0.5964                 0.3110                 0.0790
 AlphaG Fr= 1--      0.0899                -0.0095                -0.0178
 Gamma2 Fr= 1--      2.1323                 0.0006                 0.1165
 Delta2 Fr= 1--     -0.6980                 0.2377                 0.1884
 Raman1 Fr= 1--      95.173                  8.881                  3.001
 ROA1   Fr= 1--     182.369                  7.668                 17.215
 CID1   Fr= 1--       1.916                  0.863                  5.736
 Raman2 Fr= 1--       7.157                  3.732                  0.948
 ROA2   Fr= 1--      56.760                 -1.886                  1.290
 CID2   Fr= 1--       7.931                 -0.505                  1.361
 Raman3 Fr= 1--      14.313                  7.464                  1.895
 ROA3   Fr= 1--     182.369                  7.668                 17.215
 CID3   Fr= 1--      12.741                  1.027                  9.084
 RC180  Fr= 1--      -0.699                  0.681                  0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      6.0058                 1.1980                10.0126
  Dep-P Fr= 1--      0.2799                 0.6521                 0.2181
  Dep-U Fr= 1--      0.4374                 0.7894                 0.3581
 Alpha2 Fr= 1--      0.0654                 0.0021                 0.1295
 Beta2  Fr= 1--      0.4378                 0.1576                 0.5976
 AlphaG Fr= 1--     -0.0339                 0.0178                -0.3493
 Gamma2 Fr= 1--     -4.5984                 0.2250                -4.4123
 Delta2 Fr= 1--      0.3365                -0.2828                -0.6463
 Raman1 Fr= 1--      24.023                  4.792                 40.050
 ROA1   Fr= 1--    -430.677                 12.548               -444.264
 CID1   Fr= 1--     -17.928                  2.619                -11.093
 Raman2 Fr= 1--       5.254                  1.891                  7.171
 ROA2   Fr= 1--    -113.053                  7.662               -100.725
 CID2   Fr= 1--     -21.518                  4.051                -14.046
 Raman3 Fr= 1--      10.508                  3.783                 14.342
 ROA3   Fr= 1--    -430.677                 12.548               -444.264
 CID3   Fr= 1--     -40.986                  3.317                -30.975
 RC180  Fr= 1--      -0.125                  0.579                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     16.2290                 3.5426                 3.1571
  Dep-P Fr= 1--      0.1616                 0.2801                 0.0710
  Dep-U Fr= 1--      0.2783                 0.4376                 0.1326
 Alpha2 Fr= 1--      0.2435                 0.0385                 0.0593
 Beta2  Fr= 1--      0.7527                 0.2584                 0.0698
 AlphaG Fr= 1--      0.3144                 0.0176                 0.0021
 Gamma2 Fr= 1--      4.3248                 0.0502                 0.0693
 Delta2 Fr= 1--      1.3204                -0.6120                 0.0385
 Raman1 Fr= 1--      64.916                 14.170                 12.628
 ROA1   Fr= 1--     457.432                -14.766                  7.885
 CID1   Fr= 1--       7.047                 -1.042                  0.624
 Raman2 Fr= 1--       9.033                  3.101                  0.837
 ROA2   Fr= 1--      93.231                  6.100                  1.355
 CID2   Fr= 1--      10.321                  1.967                  1.618
 Raman3 Fr= 1--      18.066                  6.201                  1.675
 ROA3   Fr= 1--     457.432                -14.766                  7.885
 CID3   Fr= 1--      25.320                 -2.381                  4.708
 RC180  Fr= 1--      -0.443                 -0.125                 -0.735
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      3.2787                10.4352                 2.4328
  Dep-P Fr= 1--      0.2263                 0.3404                 0.6632
  Dep-U Fr= 1--      0.3691                 0.5079                 0.7975
 Alpha2 Fr= 1--      0.0415                 0.0945                 0.0038
 Beta2  Fr= 1--      0.2017                 0.8834                 0.3233
 AlphaG Fr= 1--     -0.0435                 0.0998                 0.0015
 Gamma2 Fr= 1--      0.3807                -0.4070                 1.7017
 Delta2 Fr= 1--     -0.7283                 1.2722                 5.2349
 Raman1 Fr= 1--      13.115                 41.741                  9.731
 ROA1   Fr= 1--      13.241                  1.639                330.883
 CID1   Fr= 1--       1.010                  0.039                 34.003
 Raman2 Fr= 1--       2.420                 10.600                  3.880
 ROA2   Fr= 1--      14.963                -19.946                 -1.038
 CID2   Fr= 1--       6.182                 -1.882                 -0.268
 Raman3 Fr= 1--       4.841                 21.201                  7.760
 ROA3   Fr= 1--      13.241                  1.639                330.883
 CID3   Fr= 1--       2.736                  0.077                 42.638
 RC180  Fr= 1--      -0.262                  0.016                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.6899                30.5579                 1.9426
  Dep-P Fr= 1--      0.7331                 0.4874                 0.2469
  Dep-U Fr= 1--      0.8460                 0.6554                 0.3961
 Alpha2 Fr= 1--      0.0002                 0.1598                 0.0232
 Beta2  Fr= 1--      0.0973                 3.3378                 0.1282
 AlphaG Fr= 1--     -0.0131                -0.1027                 0.0008
 Gamma2 Fr= 1--     -0.3137               -12.3116                 0.0603
 Delta2 Fr= 1--      0.0051                -6.1393                 0.1077
 Raman1 Fr= 1--       2.759                122.232                  7.770
 ROA1   Fr= 1--     -29.956              -1378.368                  9.232
 CID1   Fr= 1--     -10.856                -11.277                  1.188
 Raman2 Fr= 1--       1.167                 40.054                  1.539
 ROA2   Fr= 1--      -7.570               -246.364                  0.585
 CID2   Fr= 1--      -6.485                 -6.151                  0.380
 Raman3 Fr= 1--       2.335                 80.108                  3.078
 ROA3   Fr= 1--     -29.956              -1378.368                  9.232
 CID3   Fr= 1--     -12.832                -17.206                  3.000
 RC180  Fr= 1--       0.692                  0.311                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      2.4731                75.3149                48.8380
  Dep-P Fr= 1--      0.7350                 0.2552                 0.2647
  Dep-U Fr= 1--      0.8473                 0.4066                 0.4186
 Alpha2 Fr= 1--      0.0006                 0.8798                 0.5552
 Beta2  Fr= 1--      0.3492                 5.1034                 3.4076
 AlphaG Fr= 1--      0.0004                -0.0286                -0.0367
 Gamma2 Fr= 1--      3.4782                 5.1075                -1.2404
 Delta2 Fr= 1--      0.1585                 3.0086                -0.1213
 Raman1 Fr= 1--       9.893                301.260                195.352
 ROA1   Fr= 1--     338.977                586.596               -122.959
 CID1   Fr= 1--      34.266                  1.947                 -0.629
 Raman2 Fr= 1--       4.191                 61.241                 40.892
 ROA2   Fr= 1--      82.209                 98.512                -28.799
 CID2   Fr= 1--      19.617                  1.609                 -0.704
 Raman3 Fr= 1--       8.381                122.483                 81.783
 ROA3   Fr= 1--     338.977                586.596               -122.959
 CID3   Fr= 1--      40.444                  4.789                 -1.503
 RC180  Fr= 1--       0.695                 -0.187                 -0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      8.4880                 6.7646                 4.0476
  Dep-P Fr= 1--      0.3901                 0.7409                 0.5064
  Dep-U Fr= 1--      0.5613                 0.8512                 0.6723
 Alpha2 Fr= 1--      0.0651                 0.0010                 0.0194
 Beta2  Fr= 1--      0.7940                 0.9596                 0.4536
 AlphaG Fr= 1--     -0.0532                -0.0005                 0.0021
 Gamma2 Fr= 1--      0.0034                -5.9389                12.7437
 Delta2 Fr= 1--     -0.0801                 0.1157                -0.4563
 Raman1 Fr= 1--      33.952                 27.058                 16.190
 ROA1   Fr= 1--      -2.233               -566.433               1208.798
 CID1   Fr= 1--      -0.066                -20.934                 74.662
 Raman2 Fr= 1--       9.528                 11.515                  5.443
 ROA2   Fr= 1--       0.723               -143.460                309.500
 CID2   Fr= 1--       0.076                -12.458                 56.865
 Raman3 Fr= 1--      19.056                 23.031                 10.885
 ROA3   Fr= 1--      -2.233               -566.433               1208.798
 CID3   Fr= 1--      -0.117                -24.594                111.047
 RC180  Fr= 1--       0.123                  0.702                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     33.6991                 7.4775                 5.0772
  Dep-P Fr= 1--      0.2068                 0.2921                 0.6543
  Dep-U Fr= 1--      0.3427                 0.4521                 0.7911
 Alpha2 Fr= 1--      0.4494                 0.0785                 0.0087
 Beta2  Fr= 1--      1.9249                 0.5634                 0.6694
 AlphaG Fr= 1--     -0.1300                 0.0982                -0.0217
 Gamma2 Fr= 1--     -0.9587                -4.1261                -1.0520
 Delta2 Fr= 1--      0.6894                -1.1025                 1.4396
 Raman1 Fr= 1--     134.796                 29.910                 20.309
 ROA1   Fr= 1--     -69.973               -431.389                -54.925
 CID1   Fr= 1--      -0.519                -14.423                 -2.704
 Raman2 Fr= 1--      23.099                  6.761                  8.033
 ROA2   Fr= 1--     -28.524                -90.207                -36.765
 CID2   Fr= 1--      -1.235                -13.342                 -4.577
 Raman3 Fr= 1--      46.198                 13.522                 16.066
 ROA3   Fr= 1--     -69.973               -431.389                -54.925
 CID3   Fr= 1--      -1.515                -31.902                 -3.419
 RC180  Fr= 1--      -0.315                 -0.096                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--    108.9606                74.6666               342.7490
  Dep-P Fr= 1--      0.2111                 0.1747                 0.2121
  Dep-U Fr= 1--      0.3485                 0.2975                 0.3500
 Alpha2 Fr= 1--      1.4367                 1.0834                 4.5062
 Beta2  Fr= 1--      6.3296                 3.7021                19.9958
 AlphaG Fr= 1--      0.1985                -0.1889                -1.1680
 Gamma2 Fr= 1--      0.5688                 0.7765                -2.5874
 Delta2 Fr= 1--     -1.6288                -1.7498                 1.5355
 Raman1 Fr= 1--     435.843                298.667               1370.996
 ROA1   Fr= 1--       2.481                 18.547               -199.257
 CID1   Fr= 1--       0.006                  0.062                 -0.145
 Raman2 Fr= 1--      75.955                 44.426                239.949
 ROA2   Fr= 1--      26.681                 32.633                -74.383
 CID2   Fr= 1--       0.351                  0.735                 -0.310
 Raman3 Fr= 1--     151.911                 88.851                479.899
 ROA3   Fr= 1--       2.481                 18.547               -199.257
 CID3   Fr= 1--       0.016                  0.209                 -0.415
 RC180  Fr= 1--      -0.303                 -0.405                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    188.7393               203.9720                 6.1245
  Dep-P Fr= 1--      0.1974                 0.2846                 0.4703
  Dep-U Fr= 1--      0.3297                 0.4431                 0.6398
 Alpha2 Fr= 1--      2.5811                 2.1898                 0.0345
 Beta2  Fr= 1--     10.3701                15.0619                 0.6530
 AlphaG Fr= 1--     -0.7765                 0.1607                -0.0314
 Gamma2 Fr= 1--     -2.4006                -4.3441                 0.2924
 Delta2 Fr= 1--      1.6055                 0.8381                -0.1930
 Raman1 Fr= 1--     754.957                815.888                 24.498
 ROA1   Fr= 1--    -179.077               -390.213                 21.894
 CID1   Fr= 1--      -0.237                 -0.478                  0.894
 Raman2 Fr= 1--     124.441                180.742                  7.836
 ROA2   Fr= 1--     -70.458               -110.962                  8.562
 CID2   Fr= 1--      -0.566                 -0.614                  1.093
 Raman3 Fr= 1--     248.882                361.485                 15.673
 ROA3   Fr= 1--    -179.077               -390.213                 21.894
 CID3   Fr= 1--      -0.720                 -1.079                  1.397
 RC180  Fr= 1--      -0.341                 -0.114                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      4.6937                10.1720                 6.9491
  Dep-P Fr= 1--      0.7498                 0.7442                 0.5781
  Dep-U Fr= 1--      0.8570                 0.8533                 0.7327
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0224
 Beta2  Fr= 1--      0.6705                 1.4467                 0.8486
 AlphaG Fr= 1--     -0.0002                 0.0109                 0.0854
 Gamma2 Fr= 1--      0.8784                -1.1108                 2.5426
 Delta2 Fr= 1--     -1.0478                -0.1117                 2.0051
 Raman1 Fr= 1--      18.775                 40.688                 27.796
 ROA1   Fr= 1--      50.800               -110.213                308.251
 CID1   Fr= 1--       2.706                 -2.709                 11.090
 Raman2 Fr= 1--       8.045                 17.360                 10.183
 ROA2   Fr= 1--      29.465                -25.766                 44.981
 CID2   Fr= 1--       3.662                 -1.484                  4.417
 Raman3 Fr= 1--      16.091                 34.720                 20.366
 ROA3   Fr= 1--      50.800               -110.213                308.251
 CID3   Fr= 1--       3.157                 -3.174                 15.136
 RC180  Fr= 1--       0.714                  0.707                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     15.7000               122.9726                15.3361
  Dep-P Fr= 1--      0.4469                 0.2659                 0.1387
  Dep-U Fr= 1--      0.6177                 0.4201                 0.2436
 Alpha2 Fr= 1--      0.0974                 1.3932                 0.2440
 Beta2  Fr= 1--      1.6164                 8.6109                 0.6226
 AlphaG Fr= 1--      0.0087                -0.0765                -0.2385
 Gamma2 Fr= 1--      0.2970                -2.1188                -1.0200
 Delta2 Fr= 1--      0.3912                 0.7874                 0.4086
 Raman1 Fr= 1--      62.800                491.891                 61.344
 ROA1   Fr= 1--      41.036               -178.204                -84.843
 CID1   Fr= 1--       0.653                 -0.362                 -1.383
 Raman2 Fr= 1--      19.397                103.331                  7.471
 ROA2   Fr= 1--       3.999                -57.150                -27.748
 CID2   Fr= 1--       0.206                 -0.553                 -3.714
 Raman3 Fr= 1--      38.794                206.663                 14.942
 ROA3   Fr= 1--      41.036               -178.204                -84.843
 CID3   Fr= 1--       1.058                 -0.862                 -5.678
 RC180  Fr= 1--       0.235                 -0.160                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     78.6986                 2.6885               310.3049
  Dep-P Fr= 1--      0.4938                 0.7068                 0.3740
  Dep-U Fr= 1--      0.6611                 0.8282                 0.5444
 Alpha2 Fr= 1--      0.4000                 0.0020                 2.5157
 Beta2  Fr= 1--      8.6712                 0.3711                28.1571
 AlphaG Fr= 1--     -0.3537                 0.0095                -0.9288
 Gamma2 Fr= 1--      0.1424                 1.0585                -5.2311
 Delta2 Fr= 1--      0.8949                 2.2445                 1.0791
 Raman1 Fr= 1--     314.794                 10.754               1241.220
 ROA1   Fr= 1--      42.306                173.443               -467.651
 CID1   Fr= 1--       0.134                 16.128                 -0.377
 Raman2 Fr= 1--     104.054                  4.453                337.886
 ROA2   Fr= 1--      -3.742                  7.449               -134.179
 CID2   Fr= 1--      -0.036                  1.673                 -0.397
 Raman3 Fr= 1--     208.108                  8.907                675.771
 ROA3   Fr= 1--      42.306                173.443               -467.651
 CID3   Fr= 1--       0.203                 19.474                 -0.692
 RC180  Fr= 1--       0.322                  0.656                  0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     30.4525               237.5822                65.6118
  Dep-P Fr= 1--      0.3197                 0.0416                 0.1401
  Dep-U Fr= 1--      0.4845                 0.0799                 0.2458
 Alpha2 Fr= 1--      0.2942                 4.7874                 1.0400
 Beta2  Fr= 1--      2.4591                 3.1639                 2.6874
 AlphaG Fr= 1--     -0.8830                -0.2527                 0.2822
 Gamma2 Fr= 1--     -4.8227                -0.5971                -0.6558
 Delta2 Fr= 1--     -0.4400                 0.3401                 0.0113
 Raman1 Fr= 1--     121.810                950.329                262.447
 ROA1   Fr= 1--    -477.062                -46.439                -62.596
 CID1   Fr= 1--      -3.916                 -0.049                 -0.239
 Raman2 Fr= 1--      29.509                 37.967                 32.249
 ROA2   Fr= 1--    -112.226                -17.052                -15.829
 CID2   Fr= 1--      -3.803                 -0.449                 -0.491
 Raman3 Fr= 1--      59.018                 75.933                 64.497
 ROA3   Fr= 1--    -477.062                -46.439                -62.596
 CID3   Fr= 1--      -8.083                 -0.612                 -0.971
 RC180  Fr= 1--      -0.031                 -0.840                 -0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    184.8548                73.5725                34.1789
  Dep-P Fr= 1--      0.0249                 0.7498                 0.7450
  Dep-U Fr= 1--      0.0487                 0.8570                 0.8539
 Alpha2 Fr= 1--      3.8746                 0.0002                 0.0029
 Beta2  Fr= 1--      1.4996                10.5090                 4.8641
 AlphaG Fr= 1--      0.2047                -0.0502                 0.0135
 Gamma2 Fr= 1--      1.5276                -0.7786                -1.9561
 Delta2 Fr= 1--      3.7674                -0.8246                 2.1167
 Raman1 Fr= 1--     739.419                294.290                136.716
 ROA1   Fr= 1--     267.201               -101.134               -120.050
 CID1   Fr= 1--       0.361                 -0.344                 -0.878
 Raman2 Fr= 1--      17.995                126.107                 58.369
 ROA2   Fr= 1--       6.522                -12.089                -63.879
 CID2   Fr= 1--       0.362                 -0.096                 -1.094
 Raman3 Fr= 1--      35.991                252.215                116.739
 ROA3   Fr= 1--     267.201               -101.134               -120.050
 CID3   Fr= 1--       7.424                 -0.401                 -1.028
 RC180  Fr= 1--      -0.903                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    161.8459               176.4072                55.4964
  Dep-P Fr= 1--      0.4945                 0.4302                 0.2723
  Dep-U Fr= 1--      0.6618                 0.6016                 0.4280
 Alpha2 Fr= 1--      0.8197                 1.1689                 0.6174
 Beta2  Fr= 1--     17.8511                17.6865                 3.9588
 AlphaG Fr= 1--      0.0583                 0.0510                 0.0903
 Gamma2 Fr= 1--      0.2106                -0.1732                 1.0704
 Delta2 Fr= 1--     -7.0630                 0.3898                -0.5339
 Raman1 Fr= 1--     647.383                705.629                221.986
 ROA1   Fr= 1--    -205.799                 -4.149                 85.672
 CID1   Fr= 1--      -0.318                 -0.006                  0.386
 Raman2 Fr= 1--     214.213                212.238                 47.505
 ROA2   Fr= 1--      61.558                 -7.274                 29.960
 CID2   Fr= 1--       0.287                 -0.034                  0.631
 Raman3 Fr= 1--     428.425                424.475                 95.010
 ROA3   Fr= 1--    -205.799                 -4.149                 85.672
 CID3   Fr= 1--      -0.480                 -0.010                  0.902
 RC180  Fr= 1--       0.324                  0.203                 -0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     51.6115                79.0905                96.8686
  Dep-P Fr= 1--      0.7489                 0.4072                 0.2204
  Dep-U Fr= 1--      0.8564                 0.5788                 0.3612
 Alpha2 Fr= 1--      0.0010                 0.5708                 1.2455
 Beta2  Fr= 1--      7.3668                 7.6290                 5.8314
 AlphaG Fr= 1--     -0.0068                -0.0375                -0.2277
 Gamma2 Fr= 1--      0.7046                -0.9478                 1.0518
 Delta2 Fr= 1--     -0.6798                -0.0394                 1.9100
 Raman1 Fr= 1--     206.446                316.362                387.474
 ROA1   Fr= 1--      45.886                -92.252                162.096
 CID1   Fr= 1--       0.222                 -0.292                  0.418
 Raman2 Fr= 1--      88.402                 91.548                 69.976
 ROA2   Fr= 1--      22.348                -22.433                  9.964
 CID2   Fr= 1--       0.253                 -0.245                  0.142
 Raman3 Fr= 1--     176.804                183.095                139.953
 ROA3   Fr= 1--      45.886                -92.252                162.096
 CID3   Fr= 1--       0.260                 -0.504                  1.158
 RC180  Fr= 1--       0.713                  0.158                 -0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    163.2353               125.9161               161.7880
  Dep-P Fr= 1--      0.2166                 0.2524                 0.2421
  Dep-U Fr= 1--      0.3561                 0.4031                 0.3898
 Alpha2 Fr= 1--      2.1203                 1.4823                 1.9604
 Beta2  Fr= 1--      9.6890                 8.4588                10.5097
 AlphaG Fr= 1--     -0.0172                -0.0822                -3.6083
 Gamma2 Fr= 1--      0.3467                -1.0067               -35.6172
 Delta2 Fr= 1--      0.6599                -0.4197                -4.7724
 Raman1 Fr= 1--     652.941                503.664                647.152
 ROA1   Fr= 1--      54.398               -110.079              -3571.968
 CID1   Fr= 1--       0.083                 -0.219                 -5.520
 Raman2 Fr= 1--     116.269                101.505                126.117
 ROA2   Fr= 1--       3.041                -20.804               -816.633
 CID2   Fr= 1--       0.026                 -0.205                 -6.475
 Raman3 Fr= 1--     232.537                203.011                252.234
 ROA3   Fr= 1--      54.398               -110.079              -3571.968
 CID3   Fr= 1--       0.234                 -0.542                -14.161
 RC180  Fr= 1--      -0.288                 -0.194                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312116D+03  0.150671D+02  0.116968D+02
      2   0.150671D+02  0.169750D+03 -0.374116D+01
      3   0.116968D+02 -0.374116D+01  0.122206D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837180D+01  0.275776D+02  0.720066D+01
      2  -0.475573D+02  0.100203D+02  0.249913D+02
      3   0.945586D+01  0.608654D+02 -0.714297D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.349991D+03 -0.111037D+02 -0.482326D+02
      2   0.143012D+03  0.157543D+02 -0.649397D+01
      3   0.206979D+03 -0.465054D+01  0.547265D+02
      4  -0.189089D+02 -0.148068D+03  0.223274D+02
      5   0.316329D+02  0.209687D+02  0.605830D+02
      6   0.531022D+01  0.463245D+02 -0.242677D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.387238D+02  0.822967D+01  0.142400D+01 -0.492583D+02 -0.495633D+01
      2   0.822967D+01  0.358816D+01  0.305808D+00 -0.495633D+01 -0.519218D+01
      3   0.142400D+01  0.305808D+00 -0.354752D+00 -0.279465D+01  0.961735D-01
                 6             7             8             9            10 
      1  -0.279465D+01  0.788157D+01  0.133719D+01  0.182272D+01 -0.299614D+02
      2   0.961735D-01  0.133719D+01  0.622784D+00 -0.106871D+01 -0.650937D+01
      3   0.338751D-01  0.182272D+01 -0.106871D+01  0.391644D+00 -0.970125D+00
                11            12            13            14            15 
      1  -0.650937D+01 -0.970125D+00  0.530147D+02  0.603858D+01  0.315561D+01
      2  -0.598687D+00 -0.285524D+00  0.603858D+01  0.615741D+01 -0.308762D-01
      3  -0.285524D+00 -0.449723D-01  0.315561D+01 -0.308762D-01 -0.228129D+00
                16            17            18            19            20 
      1  -0.800490D+01 -0.128954D+01 -0.907836D+00 -0.522066D+02 -0.104043D+02
      2  -0.128954D+01 -0.528334D+00  0.988335D+00 -0.104043D+02 -0.975642D+01
      3  -0.907836D+00  0.988335D+00 -0.184912D+00 -0.136736D+01  0.398455D+00
                21            22            23            24            25 
      1  -0.136736D+01 -0.157741D+02 -0.190451D+01  0.210161D+00 -0.239944D+01
      2   0.398455D+00 -0.190451D+01 -0.489598D+01 -0.500082D+00  0.242372D+00
      3  -0.523928D+00  0.210161D+00 -0.500082D+00 -0.213218D+01  0.655056D+00
                26            27            28            29            30 
      1   0.242372D+00  0.655056D+00  0.504278D+02  0.417312D+01  0.113067D+01
      2  -0.113650D+01 -0.380516D+01  0.417312D+01  0.619970D+01 -0.295115D-01
      3  -0.380516D+01  0.117305D+01  0.113067D+01 -0.295115D-01  0.228563D+01
                31            32            33            34            35 
      1   0.217758D+01  0.357550D+01  0.611301D+00  0.535811D-01  0.730600D+00
      2   0.357550D+01  0.149282D+02 -0.818495D+00  0.730600D+00 -0.328185D+00
      3   0.611301D+00 -0.818495D+00  0.412099D+00  0.649009D+01  0.725549D+00
                36            37            38            39            40 
      1   0.649009D+01  0.962784D+01 -0.136035D+01  0.531313D+00  0.886868D+01
      2   0.725549D+00 -0.136035D+01  0.127145D+02 -0.996159D+00  0.111524D+01
      3   0.728307D+00  0.531313D+00 -0.996159D+00  0.241384D+01  0.441486D+00
                41            42            43            44            45 
      1   0.111524D+01  0.441486D+00 -0.584135D-01  0.145702D+00  0.464191D+01
      2  -0.931779D+01  0.123466D+01  0.145702D+00  0.246699D+01  0.162610D+01
      3   0.123466D+01  0.883687D+00  0.464191D+01  0.162610D+01  0.690770D+00
                46            47            48            49            50 
      1  -0.135218D+02  0.260397D+01 -0.150768D+01  0.161860D+01  0.255923D+01
      2   0.260397D+01 -0.903290D+01  0.217252D+00  0.255923D+01  0.114951D+01
      3  -0.150768D+01  0.217252D+00 -0.152193D+01 -0.342241D+00  0.820223D+00
                51            52            53            54            55 
      1  -0.342241D+00 -0.111930D+01 -0.620519D+00 -0.914766D+00  0.393301D+01
      2   0.820223D+00 -0.620519D+00  0.190246D+00  0.449616D+01 -0.344507D+01
      3   0.173605D+01 -0.914766D+00  0.449616D+01 -0.119117D+01  0.656348D+00
                56            57            58            59            60 
      1  -0.344507D+01  0.656348D+00 -0.321338D+01 -0.397836D+01  0.394661D+00
      2   0.648682D+01 -0.488375D+00 -0.397836D+01 -0.278781D+01 -0.657322D+00
      3  -0.488375D+00  0.218875D+01  0.394661D+00 -0.657322D+00 -0.166926D+01
                61            62            63            64            65 
      1   0.731146D+00  0.483681D+00 -0.154861D+00  0.413363D+00 -0.197259D+01
      2   0.483681D+00 -0.129077D+00 -0.430301D+01 -0.197259D+01  0.102734D+01
      3  -0.154861D+00 -0.430301D+01  0.137677D+01  0.275728D+00 -0.269064D+00
                66            67            68            69            70 
      1   0.275728D+00 -0.205635D+01  0.258658D+01 -0.458471D+00  0.441430D+00
      2  -0.269064D+00  0.258658D+01 -0.761654D+01  0.109605D+01 -0.509639D+00
      3   0.138948D+00 -0.458471D+00  0.109605D+01 -0.905624D+00  0.116953D-01
                71            72            73            74            75 
      1  -0.509639D+00  0.116953D-01  0.663209D+01  0.316661D+01  0.152286D+00
      2   0.101896D+01 -0.201496D+00  0.316661D+01  0.272325D+01 -0.103440D-01
      3  -0.201496D+00  0.191564D+00  0.152286D+00 -0.103440D-01  0.481963D+00
                76            77            78            79            80 
      1   0.441671D+01  0.400531D+01 -0.545411D-01 -0.347339D-02 -0.315777D+00
      2   0.400531D+01  0.406387D+01 -0.173254D-01 -0.315777D+00 -0.241399D+00
      3  -0.545411D-01 -0.173254D-01  0.607618D+00 -0.437212D+00  0.284791D+00
                81            82            83            84            85 
      1  -0.437212D+00 -0.704169D+00  0.135925D+01 -0.206286D+00  0.564653D+00
      2   0.284791D+00  0.135925D+01 -0.156794D+01  0.256992D+00 -0.683451D+00
      3  -0.203946D+00 -0.206286D+00  0.256992D+00 -0.133331D+00  0.517956D-01
                86            87            88            89            90 
      1  -0.683451D+00  0.517956D-01 -0.241088D+00  0.222114D+00  0.128879D+00
      2   0.106130D+02 -0.104422D+01  0.222114D+00 -0.133340D+01  0.187561D+00
      3  -0.104422D+01  0.964937D+00  0.128879D+00  0.187561D+00 -0.131089D+00
                91            92            93            94            95 
      1  -0.169072D+02 -0.183534D+01 -0.247574D-01 -0.809189D+00 -0.232477D+00
      2  -0.183534D+01  0.406636D+00 -0.629793D+00 -0.232477D+00  0.481910D+01
      3  -0.247574D-01 -0.629793D+00 -0.347486D+01 -0.204220D+01 -0.747164D+00
                96            97            98            99           100 
      1  -0.204220D+01  0.388392D+00 -0.145857D+01 -0.768697D+01 -0.565177D+01
      2  -0.747164D+00 -0.145857D+01 -0.595176D+00 -0.976640D+00  0.277207D+01
      3  -0.992037D+00 -0.768697D+01 -0.976640D+00  0.252498D+00 -0.142975D+01
               101           102           103           104           105 
      1   0.277207D+01 -0.142975D+01  0.718838D+01 -0.104252D+00  0.162320D+01
      2  -0.500482D+00  0.317748D+00 -0.104252D+00 -0.471843D+01 -0.288571D-01
      3   0.317748D+00  0.379268D+01  0.162320D+01 -0.288571D-01  0.260655D+01
               106           107           108           109           110 
      1   0.428692D+01  0.109653D+01  0.554157D+01 -0.710668D+01 -0.157334D+01
      2   0.109653D+01  0.599224D+00  0.199562D+01 -0.157334D+01 -0.268728D+00
      3   0.554157D+01  0.199562D+01 -0.308840D+00  0.448080D+00  0.552313D+00
               111           112           113           114           115 
      1   0.448080D+00 -0.200099D+01 -0.154594D+00  0.127256D+01 -0.767723D+01
      2   0.552313D+00 -0.154594D+00 -0.946799D+00 -0.906044D-01  0.496890D+00
      3   0.153322D+01  0.127256D+01 -0.906044D-01  0.658856D+00  0.440274D+01
               116           117           118           119           120 
      1   0.496890D+00  0.440274D+01 -0.158845D+01 -0.980388D+00  0.892275D-01
      2  -0.895269D+00  0.351601D+00 -0.980388D+00  0.400204D+00 -0.168059D-01
      3   0.351601D+00 -0.810474D+00  0.892275D-01 -0.168059D-01  0.716832D+00
               121           122           123           124           125 
      1  -0.284593D+01  0.172865D+01 -0.766570D-01 -0.207469D+00 -0.877741D-01
      2   0.172865D+01 -0.648287D+01  0.804269D+00 -0.877741D-01  0.706871D+00
      3  -0.766570D-01  0.804269D+00 -0.153310D+01  0.113541D+01 -0.943575D+00
               126           127           128           129           130 
      1   0.113541D+01  0.142931D+02 -0.162907D+01  0.346528D+01 -0.377108D+01
      2  -0.943575D+00 -0.162907D+01  0.128552D+01 -0.261293D+00  0.160354D+01
      3   0.730119D+00  0.346528D+01 -0.261293D+00  0.216908D+01 -0.115892D+01
               131           132           133           134           135 
      1   0.160354D+01 -0.115892D+01  0.138954D+01 -0.326252D+00  0.120913D+01
      2  -0.491059D+00  0.412633D+00 -0.326252D+00 -0.256008D-01 -0.444498D+00
      3   0.412633D+00 -0.110479D+01  0.120913D+01 -0.444498D+00  0.607483D+00
               136           137           138           139           140 
      1  -0.634830D+00 -0.397563D+00  0.913694D+00 -0.115077D+01  0.273851D-01
      2  -0.397563D+00 -0.491060D+00  0.180446D+00  0.273851D-01 -0.151971D+00
      3   0.913694D+00  0.180446D+00 -0.332130D+01 -0.237421D+00  0.107035D+01
               141           142           143           144           145 
      1  -0.237421D+00  0.797795D+00 -0.747568D-01 -0.485403D+00  0.121290D+01
      2   0.107035D+01 -0.747568D-01  0.102040D+01 -0.860755D+00  0.740448D+00
      3  -0.188001D+01 -0.485403D+00 -0.860755D+00  0.741570D+01  0.166130D+00
               146           147           148           149           150 
      1   0.740448D+00  0.166130D+00  0.243147D+01  0.122578D+01  0.897095D+00
      2   0.490083D+00  0.354807D-01  0.122578D+01  0.632129D+01  0.111888D+01
      3   0.354807D-01 -0.333205D+00  0.897095D+00  0.111888D+01  0.175592D+01
               151           152           153           154           155 
      1  -0.319337D+00  0.765511D-01 -0.228939D+00  0.205017D+02  0.224835D+01
      2   0.765511D-01  0.210416D-01  0.570788D+00  0.224835D+01  0.171085D+01
      3  -0.228939D+00  0.570788D+00  0.281683D+00 -0.145952D+01 -0.105201D+00
               156           157           158           159           160 
      1  -0.145952D+01  0.467031D+01  0.407314D+01 -0.706140D+00 -0.209802D+01
      2  -0.105201D+00  0.407314D+01  0.215287D+01 -0.311928D+00 -0.430323D+00
      3   0.276318D+01 -0.706140D+00 -0.311928D+00  0.745503D+00  0.265829D+01
               161           162           163           164           165 
      1  -0.430323D+00  0.265829D+01  0.124957D+02  0.243539D-01 -0.407820D+01
      2   0.325375D+00  0.641051D+00  0.243539D-01 -0.212335D-01  0.453989D+00
      3   0.641051D+00  0.526648D-01 -0.407820D+01  0.453989D+00  0.894371D+00
               166           167           168           169           170 
      1   0.241343D+01 -0.548437D-01 -0.367192D+00 -0.175499D+01  0.622938D+00
      2  -0.548437D-01 -0.681362D+00 -0.146562D+01  0.622938D+00 -0.672353D+00
      3  -0.367192D+00 -0.146562D+01 -0.194486D+00  0.719116D+00 -0.948739D+00
               171           172           173           174           175 
      1   0.719116D+00 -0.108087D+02  0.831590D-01  0.218730D+01 -0.103607D+01
      2  -0.948739D+00  0.831590D-01 -0.332546D+00 -0.675983D+00  0.919832D-01
      3  -0.733967D+01  0.218730D+01 -0.675983D+00 -0.279151D+01 -0.883935D-02
               176           177           178           179           180 
      1   0.919832D-01 -0.883935D-02  0.617215D+01 -0.602853D+00 -0.224579D+01
      2  -0.747878D+00 -0.731251D+00 -0.602853D+00 -0.992361D+00  0.734884D-01
      3  -0.731251D+00 -0.591606D+00 -0.224579D+01  0.734884D-01 -0.341756D+00
               181           182           183           184           185 
      1  -0.765565D+01  0.600978D+00 -0.746432D-01 -0.142811D+02 -0.176423D+01
      2   0.600978D+00 -0.107283D+02  0.126813D+01 -0.176423D+01  0.656216D+01
      3  -0.746432D-01  0.126813D+01 -0.288232D+01 -0.127093D+01 -0.142945D+01
               186           187           188           189           190 
      1  -0.127093D+01  0.169792D+01 -0.384661D-01 -0.435852D+01 -0.396019D+02
      2  -0.142945D+01 -0.384661D-01 -0.210668D+01 -0.231944D+01 -0.471030D+01
      3  -0.125260D+01 -0.435852D+01 -0.231944D+01 -0.214965D+00 -0.138451D+01
               191           192           193           194           195 
      1  -0.471030D+01 -0.138451D+01  0.944132D+00 -0.320702D+01 -0.234771D+00
      2  -0.104263D+02  0.427505D+00 -0.320702D+01 -0.126399D+02  0.140105D+01
      3   0.427505D+00 -0.385192D+01 -0.234771D+00  0.140105D+01  0.400395D+00
               196           197           198           199           200 
      1  -0.204554D+01 -0.778540D+00 -0.729221D+01  0.408245D+02  0.951295D+01
      2  -0.778540D+00  0.386744D+00 -0.537064D+00  0.951295D+01  0.787713D+01
      3  -0.729221D+01 -0.537064D+00 -0.133849D+01  0.156895D+01 -0.657085D+00
               201           202           203           204           205 
      1   0.156895D+01  0.150247D+02  0.259720D+01  0.599372D+00  0.177242D+01
      2  -0.657085D+00  0.259720D+01  0.568322D+01  0.330344D+00  0.818963D-01
      3   0.730587D+00  0.599372D+00  0.330344D+00  0.237517D+01  0.916192D-01
               206           207           208           209           210 
      1   0.818963D-01  0.916192D-01  0.103833D+02  0.370546D+01  0.362439D+00
      2   0.113161D+01  0.463561D+01  0.370546D+01  0.347264D+01 -0.681626D-01
      3   0.463561D+01 -0.116706D+01  0.362439D+00 -0.681626D-01  0.151833D+00
               211           212           213           214           215 
      1  -0.285437D+01 -0.323369D+01  0.228236D+00  0.103896D+01  0.604395D+00
      2  -0.323369D+01  0.141447D+01 -0.463964D+00  0.604395D+00  0.280270D+00
      3   0.228236D+00 -0.463964D+00 -0.103534D+01  0.679537D-01  0.717866D+00
               216           217           218           219           220 
      1   0.679537D-01 -0.263552D+01 -0.440733D+01  0.174325D-02 -0.371246D+01
      2   0.717866D+00 -0.440733D+01 -0.495712D+00 -0.608678D+00  0.291983D+01
      3  -0.174548D-01  0.174325D-02 -0.608678D+00  0.901784D+00 -0.853785D+00
               221           222           223           224           225 
      1   0.291983D+01 -0.853785D+00 -0.267857D+00 -0.744542D+00  0.288010D+01
      2   0.119095D+01  0.120634D+01 -0.744542D+00  0.813720D+00  0.431421D+01
      3   0.120634D+01  0.589235D+01  0.288010D+01  0.431421D+01 -0.107701D+01
               226           227           228           229           230 
      1   0.282584D+00 -0.132346D+01  0.172269D+00 -0.338954D+00  0.144530D+00
      2  -0.132346D+01  0.152925D+01 -0.272041D+00  0.144530D+00 -0.100789D+02
      3   0.172269D+00 -0.272041D+00  0.120335D+00  0.108106D-01  0.106128D+01
               231           232           233           234           235 
      1   0.108106D-01  0.533001D-01 -0.122043D+00 -0.805656D-01 -0.654647D+01
      2   0.106128D+01 -0.122043D+00  0.123655D+01 -0.166012D+00 -0.346523D+01
      3  -0.933700D+00 -0.805656D-01 -0.166012D+00  0.113108D+00 -0.159060D+00
               236           237           238           239           240 
      1  -0.346523D+01 -0.159060D+00 -0.529530D+01 -0.413633D+01  0.137557D+00
      2  -0.259553D+01 -0.373453D-02 -0.413633D+01 -0.412117D+01  0.680178D-01
      3  -0.373453D-02 -0.284962D+00  0.137557D+00  0.680178D-01 -0.496437D+00
               241           242           243           244           245 
      1  -0.215666D-01  0.204533D+00  0.471789D+00 -0.629298D+00  0.214229D+01
      2   0.204533D+00  0.207949D+00 -0.803411D-01  0.214229D+01 -0.165546D+01
      3   0.471789D+00 -0.803411D-01  0.130163D+00 -0.239439D+00  0.312577D+00
               246           247           248           249           250 
      1  -0.239439D+00  0.257248D+01 -0.323206D+01  0.434774D+00 -0.294443D+00
      2   0.312577D+00 -0.323206D+01  0.873112D+01 -0.106151D+01  0.513020D+00
      3  -0.291656D+00  0.434774D+00 -0.106151D+01  0.100743D+01 -0.242131D+00
               251           252           253           254           255 
      1   0.513020D+00 -0.242131D+00 -0.703820D+00 -0.357406D+00  0.148682D+01
      2  -0.109593D+01  0.146545D+00 -0.357406D+00 -0.847483D-01  0.463704D+00
      3   0.146545D+00 -0.154409D+00  0.148682D+01  0.463704D+00 -0.414034D+00
               256           257           258           259           260 
      1  -0.211920D+01 -0.184791D+01  0.139118D+01  0.537613D+01  0.158507D+01
      2  -0.184791D+01 -0.188785D+01  0.146842D+01  0.158507D+01  0.171937D+01
      3   0.139118D+01  0.146842D+01 -0.252543D+01 -0.334681D+01 -0.233536D+01
               261           262           263           264           265 
      1  -0.334681D+01 -0.122201D+00 -0.230487D+00 -0.977501D+00 -0.231837D+01
      2  -0.233536D+01 -0.230487D+00  0.977383D-01 -0.118462D+00 -0.218530D+01
      3   0.516799D+01 -0.977501D+00 -0.118462D+00  0.102743D+00 -0.148551D+01
               266           267           268           269           270 
      1  -0.218530D+01 -0.148551D+01 -0.404846D+01 -0.142632D+01 -0.285176D+01
      2  -0.310579D+01 -0.240291D+01 -0.142632D+01 -0.232704D+01 -0.280543D+01
      3  -0.240291D+01 -0.312731D+01 -0.285176D+01 -0.280543D+01 -0.442684D+01
               271           272           273           274           275 
      1  -0.127652D+02  0.323890D+01 -0.115345D+01  0.693017D+01 -0.261715D+01
      2   0.323890D+01 -0.145378D+01  0.305816D+00 -0.261715D+01  0.207712D+01
      3  -0.115345D+01  0.305816D+00 -0.116111D+01  0.632466D+00 -0.387114D+00
               276           277           278           279 
      1   0.632466D+00 -0.151971D+01  0.382420D+00 -0.169431D+01
      2  -0.387114D+00  0.382420D+00 -0.340808D+00  0.409384D-01
      3   0.521586D+00 -0.169431D+01  0.409384D-01 -0.395422D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164316D+01 -0.365957D+01  0.259629D+00 -0.335551D+01 -0.213763D+01
      2  -0.103983D+02  0.380241D+01 -0.450858D+00  0.143391D+02  0.323795D+01
      3  -0.104293D+02  0.454985D+02 -0.581277D+01  0.434259D+02  0.234751D+02
                 6             7             8             9            10 
      1  -0.171440D+00  0.411193D+01  0.713979D+01 -0.607956D+00 -0.177744D+01
      2   0.181250D+00 -0.214521D+02 -0.188543D+01 -0.166281D+01  0.126208D+02
      3   0.633899D-01 -0.188159D+01  0.173342D+01 -0.204584D+01  0.178052D+02
                11            12            13            14            15 
      1  -0.516714D+01 -0.104023D-01 -0.391893D+01  0.616819D+00  0.592363D+00
      2   0.749240D+01 -0.476651D+01 -0.833565D+01  0.101534D+01 -0.226313D+00
      3   0.557307D+02 -0.458351D+01  0.583282D+02  0.184100D+02  0.243172D+01
                16            17            18            19            20 
      1   0.279588D+01  0.677957D+01 -0.468303D+00 -0.273394D+01  0.491717D+00
      2  -0.200689D+02 -0.173295D+00 -0.153392D+01  0.195983D+02 -0.578819D+00
      3  -0.167111D+01  0.321234D+01  0.116579D+01  0.261426D+02 -0.322901D+02
                21            22            23            24            25 
      1  -0.909511D+00  0.140052D+01 -0.221285D+01 -0.300062D+01  0.373609D+01
      2  -0.613094D+00  0.406667D+01  0.381993D+00 -0.224407D+01 -0.187573D+02
      3   0.549989D+01  0.949202D+01  0.402244D+01  0.552171D+00  0.201312D+01
                26            27            28            29            30 
      1  -0.795633D+00 -0.127575D+01 -0.170735D+01 -0.594499D+00  0.157708D+00
      2  -0.753070D+01  0.577944D+00 -0.167123D+02 -0.517630D+00  0.167145D+01
      3  -0.179955D+01  0.482151D+01 -0.104600D+01  0.625431D+01 -0.134135D+01
                31            32            33            34            35 
      1  -0.385952D+01  0.576545D+01  0.169857D+01  0.239190D+01  0.138156D+02
      2   0.258773D+01 -0.645019D+00  0.178492D+01 -0.148176D+02 -0.196429D+01
      3   0.281918D+02  0.609006D+01 -0.118438D+01  0.224971D+00  0.994105D+00
                36            37            38            39            40 
      1  -0.102827D+01 -0.146029D+01  0.174079D+01 -0.551739D+01 -0.643892D+00
      2  -0.190702D+01  0.228739D+01  0.648944D+00  0.315896D+01 -0.626342D+01
      3  -0.237016D+01  0.321465D+02  0.271236D+01  0.509375D+00 -0.107631D+02
                41            42            43            44            45 
      1  -0.198253D+01  0.172913D+00 -0.155606D+02  0.922151D+01 -0.237527D+01
      2   0.989217D+00  0.519144D+00 -0.759092D+01  0.638578D+01 -0.122297D+01
      3   0.254032D+01  0.921290D+00  0.279094D+01  0.159750D+01  0.626557D+01
                46            47            48            49            50 
      1   0.410044D+01  0.145085D+01  0.464546D+01  0.236394D+01  0.122942D+01
      2  -0.322934D+01 -0.541137D+01  0.109349D+00 -0.354451D+01 -0.320729D+01
      3  -0.589849D+02 -0.369934D+02  0.945319D+00 -0.871638D+01 -0.244055D+02
                51            52            53            54            55 
      1  -0.359186D+01  0.612980D+01 -0.418963D+01  0.312158D+01  0.984097D+00
      2   0.901997D+00 -0.179169D+02  0.189834D+01 -0.202349D+01 -0.103702D+01
      3   0.771939D+00 -0.151691D+01 -0.161899D+01 -0.571057D+01 -0.301997D+02
                56            57            58            59            60 
      1   0.520852D+01  0.436913D+01 -0.907464D-01  0.946939D+00 -0.355719D+01
      2  -0.476587D+01 -0.635364D+01 -0.171424D+01 -0.913774D+00  0.375450D+01
      3  -0.361995D+02  0.395537D+01 -0.645331D+00 -0.278231D+02  0.121933D+01
                61            62            63            64            65 
      1   0.351983D+01 -0.376885D+01  0.146860D+01 -0.582455D+00 -0.482989D-02
      2  -0.226019D+02  0.661167D+01 -0.447132D+01  0.190233D+00  0.496875D+00
      3   0.115056D+01 -0.234942D+01 -0.101395D+02  0.843318D+00  0.273957D+00
                66            67            68            69            70 
      1   0.758053D+00  0.559874D+00 -0.193874D+01 -0.373161D+01  0.148489D+00
      2   0.203793D+00  0.911793D+00  0.160121D+00 -0.125965D+01 -0.179619D+01
      3   0.999738D-01  0.451612D+01  0.554776D+01 -0.651232D+00 -0.170511D+00
                71            72            73            74            75 
      1   0.254945D+01  0.454407D+00 -0.187647D+00  0.210633D+00 -0.256573D+01
      2   0.946115D+00 -0.324731D-01 -0.950617D+00 -0.722215D+00  0.227524D+01
      3  -0.753082D+00 -0.597303D+00  0.975111D+01  0.194356D-01  0.261320D+00
                76            77            78            79            80 
      1   0.102158D+01  0.933887D+00 -0.266244D+01  0.213699D+01  0.895665D+00
      2  -0.132128D+01 -0.958784D+00  0.258512D+01 -0.262249D+01  0.294389D+00
      3   0.244484D+01 -0.179741D+01  0.222217D-01  0.118051D+01  0.100780D-01
                81            82            83            84            85 
      1   0.432341D+00  0.699803D+00 -0.651724D+00  0.972967D+00 -0.318584D+00
      2  -0.435684D+00 -0.375598D+00  0.365457D-01  0.484013D+00  0.369307D+00
      3  -0.104484D+01 -0.450020D+01  0.209615D+01 -0.581180D+00  0.512055D+01
                86            87            88            89            90 
      1   0.254374D+01 -0.517316D+01 -0.116140D+01  0.194719D+01  0.307854D+00
      2  -0.349800D+00 -0.618651D+00 -0.750625D+00 -0.894005D+00  0.291496D+00
      3  -0.344186D+01  0.575858D+00 -0.100003D+01  0.107135D+01  0.107558D+01
                91            92            93            94            95 
      1  -0.183468D+01 -0.444068D+00 -0.126446D+01 -0.233529D+01  0.215429D+01
      2   0.123102D+02 -0.116246D+01 -0.832575D+01 -0.499661D+01 -0.247915D+01
      3   0.676299D+01 -0.568277D+01  0.195854D+01  0.904387D+01 -0.217169D+02
                96            97            98            99           100 
      1  -0.316943D+01 -0.441851D+01  0.284653D+01 -0.834176D+00  0.552144D+01
      2  -0.174462D+01 -0.356540D+02 -0.257254D+01  0.457473D+01  0.965211D+01
      3   0.432730D+01  0.426922D+01  0.356544D+01  0.628743D+01 -0.170401D+02
               101           102           103           104           105 
      1   0.588359D+00 -0.289002D-01 -0.177567D+01 -0.116427D+02 -0.354804D+01
      2  -0.291814D+01  0.224426D+02 -0.180871D+01  0.104778D+01  0.882965D+01
      3  -0.170806D+01 -0.285908D+01  0.369211D+01  0.244670D+02  0.431470D+00
               106           107           108           109           110 
      1   0.195707D+01  0.185108D+01  0.675346D+01  0.536450D+01  0.267892D+01
      2   0.165775D+02  0.722727D+01 -0.111103D+02 -0.156373D+02  0.744941D+00
      3  -0.483502D+01 -0.636661D+00 -0.922688D+01  0.270148D+01  0.141040D+02
               111           112           113           114           115 
      1   0.657058D+01  0.116954D+02 -0.425087D+00 -0.155636D+02  0.584747D+01
      2   0.354320D+01  0.381260D+01 -0.977008D+00 -0.543121D+01  0.115451D+02
      3  -0.385654D+00  0.183938D+02  0.120212D+02 -0.268211D+01  0.341288D+00
               116           117           118           119           120 
      1  -0.501429D+01 -0.358649D+00 -0.432825D+00  0.442626D+00  0.234422D+00
      2  -0.166874D+01 -0.369042D+00  0.132336D+01  0.477997D+00  0.302226D+01
      3  -0.175449D+01 -0.344096D+01  0.667089D+01 -0.149262D+01 -0.133997D+00
               121           122           123           124           125 
      1   0.725101D+00 -0.384333D+01 -0.231048D+01  0.239097D+00  0.787842D+00
      2   0.119687D+01  0.170086D+01 -0.484964D+01  0.212311D+01 -0.268747D+01
      3  -0.100076D+01  0.234142D+02 -0.295266D+01  0.516208D+00 -0.250117D+01
               126           127           128           129           130 
      1   0.384536D+00 -0.310205D+01  0.370506D+01 -0.171830D+00  0.322100D+01
      2   0.166493D+01 -0.105784D+02  0.198842D+01  0.666464D+01  0.171933D+01
      3   0.251564D+01  0.839026D+01 -0.895805D+01  0.147126D+01 -0.648660D+01
               131           132           133           134           135 
      1  -0.602195D+00 -0.314586D+00 -0.981462D+00  0.837660D+00 -0.969842D+00
      2  -0.111021D+01 -0.339253D+01  0.190170D+01 -0.105950D+01  0.993533D-01
      3   0.141634D+01 -0.162217D+01  0.111175D+01 -0.154821D+01  0.210647D+01
               136           137           138           139           140 
      1  -0.153752D+01 -0.248452D+01  0.674813D+00 -0.711967D+00 -0.640757D+00
      2   0.762104D+01  0.186785D+01 -0.144145D+02  0.168644D+01  0.417054D+01
      3   0.210085D+01  0.178168D+01 -0.819377D+00  0.136881D+01  0.315585D+00
               141           142           143           144           145 
      1   0.122456D+01  0.625269D-01  0.425494D+01 -0.268069D+01  0.218558D+01
      2  -0.712168D+01 -0.695614D+01 -0.378423D+01  0.302423D+02 -0.814234D+00
      3  -0.395341D+01  0.453227D+00 -0.329323D+01  0.369761D+01 -0.362875D+01
               146           147           148           149           150 
      1   0.775038D+00  0.255963D+00  0.116273D+01  0.142173D+02 -0.112116D+01
      2  -0.109388D+01 -0.114111D+01 -0.725303D+00  0.212436D+01  0.573430D+01
      3  -0.165284D+01 -0.485588D+00 -0.603049D+00 -0.278726D+02 -0.355924D+01
               151           152           153           154           155 
      1   0.357798D+00  0.680723D+00  0.114351D+01 -0.443377D+01 -0.298749D+01
      2  -0.125585D+01  0.185082D+01  0.134678D+01  0.751863D+01  0.108641D+01
      3  -0.140519D+01  0.467553D+00 -0.248219D+01 -0.132700D+02 -0.225227D+02
               156           157           158           159           160 
      1  -0.234795D+01 -0.804872D+01 -0.247796D+01  0.609717D+00 -0.313707D+00
      2   0.218027D+02 -0.368479D+01  0.155664D+01  0.727661D+01  0.769694D+01
      3   0.189002D+00 -0.170087D+02 -0.142691D+02  0.205689D+01  0.128064D+01
               161           162           163           164           165 
      1   0.337736D+01 -0.902804D+00 -0.656077D+01 -0.144776D+01 -0.171954D+00
      2   0.284194D+01  0.110299D+01  0.106207D+02  0.278911D+01  0.697011D+00
      3   0.189598D+01 -0.334771D+01 -0.900930D+01 -0.389701D+01  0.690254D+00
               166           167           168           169           170 
      1  -0.460659D+01  0.165182D+01  0.438414D+01  0.205603D+01  0.812187D+01
      2   0.369501D+01 -0.588396D+01  0.513433D+00 -0.795528D+01 -0.301186D+01
      3  -0.158818D+01  0.221422D+01  0.722850D+01 -0.202666D+00  0.323494D+01
               171           172           173           174           175 
      1  -0.347826D+01  0.605304D+01  0.135571D+01 -0.225933D+01  0.490110D+01
      2  -0.255457D+02 -0.214902D+02 -0.276988D+01 -0.575413D+01 -0.363381D+01
      3   0.379540D+01  0.962171D+01  0.220263D+01  0.735954D-01  0.573452D+01
               176           177           178           179           180 
      1  -0.543236D+00 -0.218324D+01 -0.279501D+01 -0.415828D+00  0.108235D+01
      2  -0.276526D+01 -0.152401D+01 -0.488813D+00 -0.243861D+00 -0.285952D+01
      3   0.100886D+01  0.128074D+01 -0.318101D+01 -0.463648D+00  0.151691D+01
               181           182           183           184           185 
      1   0.551483D+00 -0.392298D+01 -0.563314D+01 -0.499792D+00  0.141080D+01
      2   0.264127D+01  0.971400D+00  0.968067D+01  0.121998D+01  0.241208D+01
      3   0.157449D+02  0.547316D+01 -0.102100D+01 -0.130698D+02  0.750694D+01
               186           187           188           189           190 
      1  -0.113709D+01 -0.129120D+02  0.700254D+01 -0.263207D+01 -0.209090D+01
      2   0.351389D+01 -0.148238D+01  0.112577D+02  0.906203D-01  0.111544D+02
      3  -0.194259D+01  0.163331D+01 -0.936621D+00  0.433409D+00  0.212473D+02
               191           192           193           194           195 
      1  -0.498826D+01  0.184010D+01 -0.419917D+01 -0.119660D+01  0.325215D+01
      2   0.425148D+01  0.218832D+01  0.524540D+01  0.151831D+01 -0.450499D+00
      3   0.224044D+02 -0.860430D+00  0.421097D+02  0.657406D+01  0.258727D+01
               196           197           198           199           200 
      1   0.424132D+00  0.135866D+02 -0.163608D+01  0.277903D+00  0.499174D+01
      2   0.315305D+01 -0.397711D+01  0.248188D+01 -0.868155D+01 -0.587701D+01
      3  -0.315190D+01  0.283927D+01 -0.853870D+00  0.252918D+01 -0.454229D+02
               201           202           203           204           205 
      1  -0.666052D+00  0.153585D+01  0.169167D+01 -0.333381D+01  0.513127D+01
      2   0.235636D+01 -0.559960D+01 -0.409151D+01 -0.506795D+01 -0.198879D+02
      3   0.404240D+01 -0.463315D+01 -0.947812D+01  0.190211D+01  0.232144D+01
               206           207           208           209           210 
      1   0.100226D+01  0.872258D+00  0.155273D+01  0.408265D+01 -0.152555D+01
      2  -0.167909D+02  0.191699D+01 -0.390011D+01 -0.365503D+01  0.138436D+02
      3   0.211081D+00  0.943577D+01 -0.868633D+01 -0.402374D+02  0.178694D+01
               211           212           213           214           215 
      1  -0.604438D+00 -0.153822D+01 -0.423915D+01 -0.227144D+01 -0.130504D+01
      2  -0.362473D+00  0.270946D+01  0.486251D+01 -0.637132D+01 -0.180211D+01
      3   0.637837D+00  0.148063D+02 -0.199104D+01 -0.545912D+00 -0.464470D+01
               216           217           218           219           220 
      1   0.246900D+00  0.673408D+00 -0.155106D+01  0.134036D+01 -0.878041D+00
      2   0.561973D+00 -0.145605D+00  0.421365D+01 -0.699107D+01  0.476784D+01
      3   0.324331D+01 -0.290684D+02  0.139387D+02 -0.555171D+01  0.283172D+02
               221           222           223           224           225 
      1  -0.543964D+00  0.279968D+01  0.102393D+02  0.458179D+01 -0.146180D+01
      2  -0.580854D+01 -0.382145D+02 -0.226193D+02 -0.282722D+02  0.744598D+01
      3   0.200896D+02  0.768571D+01 -0.476949D+01  0.581682D+01  0.287267D+02
               226           227           228           229           230 
      1   0.157897D+00 -0.155659D+00  0.889251D+00  0.273210D-01 -0.642652D+00
      2  -0.745649D+00  0.821528D+00  0.171751D+00  0.427530D+00 -0.215910D+01
      3  -0.620023D+01  0.421704D+01 -0.963513D+00  0.425138D+01 -0.202683D+02
               231           232           233           234           235 
      1  -0.458062D+01 -0.197541D+00  0.286644D+01  0.213651D+00 -0.868487D+00
      2   0.102902D+01 -0.187839D+00 -0.360803D+00  0.769261D-01  0.186846D+01
      3   0.226014D+01 -0.102080D+01  0.305698D+01  0.333679D+00  0.192054D+01
               236           237           238           239           240 
      1  -0.403986D+00 -0.177402D+01 -0.600399D-01 -0.112456D+00 -0.238442D+01
      2   0.433500D+00  0.211109D+01  0.333905D-01  0.811247D-01  0.302342D+01
      3  -0.476830D+01  0.415253D+00 -0.431460D+01 -0.107274D+02  0.204521D+00
               241           242           243           244           245 
      1   0.231076D+01  0.926352D+00  0.258005D+00  0.996251D-01 -0.227448D+00
      2  -0.325289D+01  0.225601D-01 -0.631706D+00  0.589219D+00 -0.661258D+00
      3   0.109517D+01  0.737836D+00 -0.979256D+00  0.376514D+01 -0.254039D+01
               246           247           248           249           250 
      1   0.970427D+00 -0.310728D+00  0.529429D-01 -0.407250D+01 -0.169599D+00
      2   0.123185D+01 -0.701316D+00  0.267120D+01 -0.323266D+01 -0.193786D+01
      3   0.526037D+00 -0.149246D+01  0.208636D+02 -0.231530D+01  0.732656D+00
               251           252           253           254           255 
      1   0.192512D+01  0.363622D+00 -0.259909D+00  0.185798D+00 -0.124578D+00
      2   0.162475D+00  0.267639D+00 -0.971266D+01 -0.271300D+01  0.329935D+01
      3  -0.245453D+01 -0.101015D+00 -0.380841D+01 -0.262002D+01  0.250522D+01
               256           257           258           259           260 
      1   0.121477D+01  0.749005D+00 -0.270832D+01 -0.292636D+01  0.990856D+00
      2  -0.702840D+01 -0.901080D+01  0.160219D+02  0.167018D+02  0.150726D+02
      3  -0.102177D+02 -0.157196D+02  0.940419D+01  0.829898D+01  0.133938D+02
               261           262           263           264           265 
      1   0.412032D+01  0.775732D+00 -0.300340D-01  0.620566D+00 -0.202869D+00
      2  -0.318517D+02  0.645649D+01  0.113550D+00 -0.142578D+00  0.582686D+01
      3  -0.154240D+02 -0.215875D+01 -0.106779D+01 -0.457771D-01 -0.121260D+02
               266           267           268           269           270 
      1   0.114418D+01 -0.231282D+01 -0.147763D+01  0.189808D+01 -0.245967D+01
      2   0.128647D+02  0.185626D+02  0.122632D+02  0.165936D+02  0.249855D+02
      3  -0.235340D+02 -0.146719D+02 -0.681440D+01 -0.164581D+02 -0.177274D+02
               271           272           273           274           275 
      1  -0.107080D+01  0.812632D+00  0.411371D+00  0.739801D+00 -0.756519D+00
      2   0.380773D+01 -0.126128D+01  0.910035D+01 -0.218577D+01  0.171852D+01
      3   0.223568D+02 -0.135386D+02  0.238511D+01 -0.163284D+02  0.138030D+02
               276           277           278           279 
      1  -0.971826D+00 -0.881641D+00  0.487846D+00  0.762633D-01
      2  -0.371632D+01  0.838769D+01 -0.189901D-01  0.207799D+01
      3  -0.254914D+01  0.275255D+01 -0.262612D+01  0.706707D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904443D+02 -0.410092D+02 -0.740573D+00  0.945188D+02 -0.741952D+01
      2   0.457891D+02  0.233462D+02  0.511882D+00 -0.430062D+02  0.109077D+02
      3   0.446552D+02  0.176630D+02  0.228692D+00 -0.515126D+02 -0.348822D+01
      4  -0.339167D+02  0.392028D+01 -0.247668D+01 -0.287850D+01  0.902634D+01
      5   0.278563D+01 -0.203034D+01 -0.242978D+00 -0.441751D+01 -0.325234D+01
      6   0.310424D+00  0.125958D+01 -0.258494D+00 -0.391302D+01 -0.296318D+01
                 6             7             8             9            10 
      1   0.628404D+01 -0.183948D+02 -0.343330D+01 -0.117789D+02  0.625056D+02
      2  -0.454392D+01  0.801762D+01  0.184681D+01 -0.267614D+00 -0.165652D+02
      3  -0.174012D+01  0.103772D+02  0.158649D+01  0.120465D+02 -0.459405D+02
      4  -0.139220D+01 -0.231472D+01 -0.730278D+00 -0.955464D-01  0.113300D+01
      5  -0.691474D+00  0.219225D+01  0.152896D+01 -0.160906D+01  0.131896D+01
      6  -0.245297D+00 -0.287248D+01  0.435377D+01  0.142867D+00 -0.597949D+01
                11            12            13            14            15 
      1  -0.109682D+02  0.716118D+01 -0.114457D+03 -0.215077D+02 -0.686729D+01
      2   0.877125D+01 -0.186341D+01  0.515482D+02  0.189326D+02  0.119269D+01
      3   0.219695D+01 -0.529777D+01  0.629092D+02  0.257518D+01  0.567460D+01
      4  -0.201948D+01 -0.419247D+00 -0.185653D+02 -0.136717D+02  0.329882D+00
      5  -0.296743D+01 -0.896938D+01  0.605537D+01  0.248444D+01  0.696988D+00
      6  -0.103423D+01 -0.234461D+00  0.255541D+01  0.381722D+00 -0.171853D+01
                16            17            18            19            20 
      1   0.182115D+02  0.647559D+00 -0.788426D+01  0.636320D+02  0.438456D+02
      2  -0.687572D+01 -0.870216D+00 -0.140409D+01 -0.277410D+02 -0.275215D+02
      3  -0.113357D+02  0.222658D+00  0.928835D+01 -0.358910D+02 -0.163241D+02
      4   0.239622D+01  0.463158D+00 -0.249907D+01  0.358781D+02 -0.964314D+01
      5  -0.108253D+01 -0.239872D+01 -0.199280D+01 -0.678680D+01  0.167728D+01
      6  -0.240117D+01  0.408442D+01  0.105087D+01 -0.278934D+01 -0.511279D+01
                21            22            23            24            25 
      1   0.326079D+01 -0.132514D+02  0.192656D+02 -0.146236D+01  0.801724D+01
      2  -0.705594D+00  0.203462D+02 -0.249508D+02  0.478721D+01 -0.465249D+01
      3  -0.255519D+01 -0.709478D+01  0.568520D+01 -0.332485D+01 -0.336475D+01
      4   0.278560D+01  0.150966D+02  0.153979D+01 -0.146424D+01  0.356235D+01
      5  -0.572696D+01 -0.242986D+01 -0.278268D+01 -0.739896D+01  0.926660D+01
      6   0.886142D+00 -0.441866D+01  0.399210D+01  0.561178D+01 -0.137731D+01
                26            27            28            29            30 
      1   0.459766D+01 -0.129383D+02  0.178589D+01 -0.135381D+01 -0.412887D+01
      2   0.322565D+01 -0.879143D+00 -0.212504D+02  0.123175D+01  0.235555D+00
      3  -0.782332D+01  0.138174D+02  0.194646D+02  0.122068D+00  0.389331D+01
      4  -0.306287D+01 -0.508587D+01 -0.192929D+02  0.110118D+02 -0.638833D+00
      5  -0.871480D+01 -0.472216D-01  0.102967D+02  0.192112D+01  0.954644D+01
      6   0.125721D+02 -0.294323D+01  0.606237D+01  0.271815D+01 -0.245598D+01
                31            32            33            34            35 
      1  -0.483842D+02 -0.576696D+02  0.527270D+01 -0.149687D+01  0.409232D+01
      2   0.392622D+02  0.507379D+02 -0.628568D+01 -0.400200D+01 -0.520063D+01
      3   0.912206D+01  0.693163D+01  0.101298D+01  0.549887D+01  0.110831D+01
      4  -0.315864D+02  0.288949D+01 -0.167279D+01  0.569501D+01 -0.387201D+00
      5   0.588847D+01 -0.130403D+01  0.369341D+01  0.320485D+02  0.420996D+01
      6  -0.491629D+01  0.161071D+01 -0.382991D+01 -0.406711D+01  0.290970D+01
                36            37            38            39            40 
      1  -0.909377D+00 -0.191502D+02 -0.589383D+02  0.240764D+01  0.396241D+02
      2  -0.101388D+02  0.105104D+02  0.451192D+02 -0.177612D+01 -0.406105D+02
      3   0.110482D+02  0.863984D+01  0.138190D+02 -0.631526D+00  0.986364D+00
      4  -0.192936D+01 -0.959830D+01 -0.270639D+01 -0.752105D+00  0.100507D+02
      5   0.738060D+00  0.179628D+01 -0.382365D+01  0.814775D+01  0.354251D+01
      6   0.203484D+01 -0.348639D+01  0.326494D+01  0.103439D+02  0.894632D+01
                41            42            43            44            45 
      1   0.359357D+02 -0.417782D+01 -0.890117D+01 -0.118240D+02 -0.928766D+01
      2  -0.328403D+02  0.144147D+01  0.735067D+01  0.824567D+01 -0.108274D+01
      3  -0.309535D+01  0.273635D+01  0.155050D+01  0.357832D+01  0.103704D+02
      4  -0.154910D+02  0.392884D+01 -0.226849D+01  0.234097D+01  0.875446D+01
      5   0.550842D+01  0.501518D+01  0.174936D+02  0.501281D+01  0.628287D+00
      6  -0.107160D+01  0.157425D+01  0.185026D+02  0.796974D+01  0.514432D+01
                46            47            48            49            50 
      1   0.319837D+02  0.432214D+02  0.166773D+01 -0.972134D+01  0.352823D+00
      2  -0.248765D+02 -0.337568D+02 -0.508944D+00  0.662337D+01 -0.116164D+02
      3  -0.710718D+01 -0.946460D+01 -0.115878D+01  0.309796D+01  0.112636D+02
      4   0.298440D+01 -0.750316D+01  0.109072D+01  0.813507D+01  0.918606D+01
      5  -0.461877D+01  0.372832D+01 -0.235717D+01 -0.189680D+00 -0.637561D+00
      6   0.406822D+01 -0.557344D+01 -0.711326D+01 -0.193929D-01  0.755811D+01
                51            52            53            54            55 
      1  -0.398191D+01  0.592937D+01 -0.128726D+01 -0.223280D+02  0.207026D+02
      2   0.434984D+01 -0.481156D+01  0.413858D+01  0.107186D+02 -0.175819D+02
      3  -0.367938D+00 -0.111780D+01 -0.285132D+01  0.116094D+02 -0.312071D+01
      4  -0.114484D+01  0.111639D+00 -0.388406D+01 -0.189451D+01  0.237545D+02
      5   0.623619D-01  0.408593D+01  0.142052D+01 -0.234214D+01  0.302032D+01
      6   0.860919D+01 -0.312260D+01  0.230750D+02 -0.195183D+01  0.296047D+01
                56            57            58            59            60 
      1   0.542650D+02 -0.140451D+01  0.711116D+01  0.202157D+02 -0.447541D+01
      2  -0.357779D+02 -0.440146D+00 -0.121816D+01 -0.213525D+02  0.574129D+01
      3  -0.184872D+02  0.184466D+01 -0.589300D+01  0.113681D+01 -0.126588D+01
      4  -0.428693D+02  0.441273D+01  0.283868D+02  0.168524D+02  0.163988D+01
      5   0.575413D+01 -0.139604D+02 -0.310265D+01  0.794631D+00  0.579055D+01
      6  -0.184078D+01 -0.846682D+01 -0.329917D+00  0.608007D+01  0.807100D+01
                61            62            63            64            65 
      1   0.250773D+01 -0.142682D+01 -0.213603D+02 -0.107148D+01  0.277860D+01
      2  -0.170035D+01  0.665788D+01  0.790595D+01  0.396989D+01 -0.409328D+01
      3  -0.807378D+00 -0.523107D+01  0.134544D+02 -0.289842D+01  0.131468D+01
      4  -0.233133D+01 -0.379073D+01  0.148666D+02 -0.514307D+01  0.976282D+01
      5   0.179213D+01  0.174064D+02 -0.783788D+01  0.107197D+01 -0.171949D+01
      6   0.198172D+01  0.217164D+02 -0.454419D+01 -0.186299D+01  0.172264D+01
                66            67            68            69            70 
      1  -0.471747D+00  0.746921D+01 -0.317426D+02  0.480640D+01 -0.105554D+00
      2   0.319517D+00 -0.102352D+02  0.385194D+02 -0.369567D+01  0.370266D+00
      3   0.152230D+00  0.276602D+01 -0.677680D+01 -0.111073D+01 -0.264712D+00
      4  -0.134470D+01  0.103410D+02 -0.183481D+02  0.238218D+01 -0.157452D+01
      5   0.150305D+01 -0.182529D+01  0.158044D+01 -0.226025D+01  0.257740D+00
      6  -0.107439D+01  0.295561D+01 -0.960607D+01  0.693336D+01 -0.180166D+01
                71            72            73            74            75 
      1   0.346915D+01 -0.348191D+01  0.924957D+01 -0.497384D+00 -0.184661D+00
      2  -0.392901D+01  0.342950D+01  0.163160D+01  0.779901D+01 -0.152993D+00
      3   0.459862D+00  0.524029D-01 -0.108812D+02 -0.730163D+01  0.337654D+00
      4   0.280192D+01 -0.771124D+00  0.257203D+02  0.191628D+02  0.663920D-02
      5   0.893206D-01  0.571288D+00  0.130652D+01  0.427560D+00  0.415625D+01
      6   0.324885D+01 -0.188067D+01  0.159827D+01  0.872973D+00  0.243118D+01
                76            77            78            79            80 
      1  -0.229992D+01 -0.851425D+01  0.192461D+00  0.848378D+00  0.784162D+00
      2   0.120238D+02  0.181588D+02 -0.365566D+00 -0.110288D+01 -0.112011D+01
      3  -0.972391D+01 -0.964457D+01  0.173104D+00  0.254503D+00  0.335949D+00
      4   0.251779D+02  0.251299D+02 -0.369423D+00 -0.121196D+01 -0.139136D+01
      5   0.508721D+00 -0.723872D-01  0.365090D+01 -0.889587D+00  0.180570D+01
      6   0.827422D+00  0.135254D+01  0.418566D+01 -0.118243D+01  0.199432D+01
                81            82            83            84            85 
      1   0.114527D+00 -0.420148D+01  0.685033D+01 -0.124907D+01  0.319568D+01
      2   0.782542D+00  0.643869D+01 -0.933804D+01  0.115039D+01 -0.372077D+01
      3  -0.897070D+00 -0.223720D+01  0.248771D+01  0.986820D-01  0.525090D+00
      4   0.186210D+01 -0.272174D+01  0.109965D+02 -0.932572D+00  0.649720D+01
      5  -0.825362D+00 -0.345854D+00 -0.649916D-01  0.170930D+01 -0.194276D+00
      6  -0.618499D+00 -0.489307D+00  0.123401D+01 -0.130109D+01  0.106090D+00
                86            87            88            89            90 
      1  -0.522782D+02  0.521974D+01 -0.117410D+01  0.669559D+01 -0.243472D+01
      2   0.695849D+02 -0.579242D+01  0.119148D+01 -0.810157D+01  0.277203D+01
      3  -0.173067D+02  0.572683D+00 -0.173740D-01  0.140598D+01 -0.337309D+00
      4  -0.868881D+01  0.554393D+00 -0.799602D+00  0.148650D+01 -0.143178D+01
      5  -0.179619D+01 -0.353409D+00  0.755410D+00 -0.105746D+01  0.433009D+00
      6  -0.448007D+01  0.789423D+01  0.565558D+00  0.298825D+01 -0.166737D+01
                91            92            93            94            95 
      1  -0.108256D+02 -0.598556D+01  0.100247D+02 -0.866860D+01  0.139199D+02
      2   0.190068D+02  0.623675D+01  0.149504D+01  0.117077D+02 -0.192112D+02
      3  -0.818124D+01 -0.251188D+00 -0.115197D+02 -0.303908D+01  0.529129D+01
      4  -0.295873D+01  0.101302D+01 -0.476783D+01 -0.277940D+01  0.377441D+02
      5  -0.188556D+01 -0.620614D+01 -0.248475D+02 -0.205228D+02 -0.443455D+01
      6  -0.576928D+01 -0.238326D+01 -0.102261D+01 -0.617672D-01  0.899065D+01
                96            97            98            99           100 
      1  -0.117061D+02  0.367881D+01 -0.574930D+01 -0.250533D+02 -0.596536D+02
      2   0.137646D+02  0.498119D+01  0.556036D+01  0.188395D+02  0.327381D+02
      3  -0.205857D+01 -0.866000D+01  0.188938D+00  0.621375D+01  0.269155D+02
      4  -0.416458D+01 -0.108912D+02 -0.503312D+01 -0.438971D+01  0.270379D+02
      5  -0.632760D+01 -0.603583D+02 -0.740279D+01 -0.456340D+01 -0.323821D+02
      6  -0.947098D+00 -0.616001D+00 -0.992917D+00 -0.480863D+01  0.131872D+02
               101           102           103           104           105 
      1   0.194239D+02 -0.318653D+02  0.346613D+02  0.788983D+00 -0.253353D+00
      2  -0.102997D+02  0.112497D+01 -0.258541D+02 -0.722139D+01 -0.108606D+02
      3  -0.912422D+01  0.307403D+02 -0.880718D+01  0.643241D+01  0.111140D+02
      4  -0.968377D+00  0.425684D+01 -0.424997D+01 -0.406464D+02 -0.146113D+01
      5   0.917931D+01  0.203021D+02  0.232508D+02 -0.245569D+00  0.183556D+02
      6   0.350111D-01  0.760808D+00  0.775997D-01 -0.176240D+02  0.223150D+00
               106           107           108           109           110 
      1  -0.621463D+01 -0.284596D+01  0.379051D+02 -0.102994D+03 -0.140513D+02
      2  -0.140380D+02 -0.517457D+01 -0.122926D+02  0.462616D+02  0.240776D+01
      3   0.202526D+02  0.802054D+01 -0.256125D+02  0.567324D+02  0.116435D+02
      4   0.622473D+01  0.223608D+01  0.151490D+02 -0.212953D+02 -0.174937D+02
      5   0.423236D+02  0.149076D+02  0.142755D+02  0.196636D+02  0.804968D+01
      6   0.435700D+01  0.187661D+01  0.116985D+02  0.654608D+01  0.184548D+01
               111           112           113           114           115 
      1   0.981147D+01 -0.252097D+02 -0.111442D+02  0.689865D+01 -0.215344D+02
      2  -0.470927D+01  0.691177D+01  0.113226D+02 -0.340023D+01  0.165982D+02
      3  -0.510220D+01  0.182980D+02 -0.178399D+00 -0.349842D+01  0.493620D+01
      4   0.563320D+01  0.167051D+01 -0.175990D+02  0.563221D+00  0.628320D+01
      5  -0.351176D+01  0.141811D+02  0.230019D+01 -0.212631D+01  0.263083D+02
      6  -0.309141D+01  0.253402D+01  0.124078D+01  0.924755D+00  0.833331D+00
               116           117           118           119           120 
      1   0.584284D+01  0.258525D+02 -0.699170D+01 -0.620892D+01 -0.596364D+00
      2  -0.265531D+01 -0.668838D+01  0.837995D+01  0.248828D+01  0.267773D+00
      3  -0.318752D+01 -0.191642D+02 -0.138825D+01  0.372065D+01  0.328591D+00
      4  -0.124202D+01  0.248747D+01 -0.849850D+01  0.731568D+01 -0.550264D+00
      5   0.334141D+01 -0.759549D+01  0.285432D+00 -0.102487D+01  0.702227D+01
      6  -0.455116D+01 -0.345381D+01 -0.227558D+01  0.772538D+00 -0.268189D+00
               121           122           123           124           125 
      1  -0.909560D+01 -0.174062D+02  0.536132D+01 -0.155603D+01  0.214139D+01
      2   0.341394D+00  0.294776D+02 -0.423786D+01  0.119297D+01 -0.808148D+00
      3   0.875421D+01 -0.120714D+02 -0.112346D+01  0.363065D+00 -0.133324D+01
      4   0.161674D+02 -0.455688D+02  0.550843D+01 -0.542229D+00  0.469992D+01
      5  -0.118236D+01  0.526926D+01 -0.110805D+02  0.936259D+01 -0.567714D+01
      6   0.214137D+01 -0.104105D+02  0.627364D+01 -0.185297D+01  0.648470D+01
               126           127           128           129           130 
      1  -0.502033D+00  0.104794D+03 -0.135473D+02  0.202756D+02 -0.248625D+02
      2   0.300560D+00 -0.629911D+02  0.692593D+01 -0.174158D+02  0.143720D+02
      3   0.201472D+00 -0.418029D+02  0.662134D+01 -0.285979D+01  0.104905D+02
      4  -0.606845D+01 -0.201754D+02  0.158498D+02 -0.406306D+01  0.198523D+02
      5   0.485068D+01  0.602633D+02 -0.673253D+01  0.287145D+02 -0.173443D+02
      6  -0.224300D+01 -0.800577D+01  0.633814D+01 -0.196715D+01  0.723569D+01
               131           132           133           134           135 
      1   0.108882D+02 -0.379123D+01  0.100785D+02 -0.564492D+00  0.648965D+01
      2  -0.407980D+01  0.526052D+01 -0.917913D+01  0.169369D+01 -0.748737D+01
      3  -0.680838D+01 -0.146929D+01 -0.899387D+00 -0.112920D+01  0.997728D+00
      4  -0.527839D+01  0.470855D+01 -0.243868D+01  0.178512D+01 -0.440204D+01
      5   0.681443D+01 -0.106848D+02  0.175734D+02 -0.450104D+01  0.838345D+01
      6  -0.183306D+01  0.314759D+01 -0.234474D+01  0.154935D+01 -0.198334D+01
               136           137           138           139           140 
      1  -0.651788D+01 -0.470222D+01  0.232854D+02 -0.675210D+01 -0.682096D+01
      2  -0.684784D+00  0.136368D+01  0.229778D+01  0.441229D+01  0.138766D+01
      3   0.720266D+01  0.333854D+01 -0.255832D+02  0.233981D+01  0.543330D+01
      4  -0.345309D+01 -0.315353D+01  0.141780D+01  0.168455D+01 -0.430397D+00
      5   0.920803D+00 -0.755263D+00 -0.127318D+02 -0.485101D+01  0.524806D+01
      6  -0.238091D+01 -0.376441D+01  0.247777D+01 -0.669438D-01 -0.264657D+01
               141           142           143           144           145 
      1   0.773258D+01  0.110376D+02  0.431803D+01 -0.403295D+02  0.979716D+01
      2   0.292125D+01 -0.365453D+01  0.151497D+01 -0.141689D+02 -0.329837D+01
      3  -0.106538D+02 -0.738304D+01 -0.583300D+01  0.544984D+02 -0.649879D+01
      4   0.710909D+01 -0.208561D+00  0.679511D+01 -0.737998D+01  0.615780D+01
      5  -0.111941D+02  0.535899D+01 -0.505435D+01  0.399353D+02  0.510211D+01
      6   0.871005D+01 -0.295970D+00  0.741754D+01 -0.724996D+01  0.194093D+01
               146           147           148           149           150 
      1   0.519179D+01  0.453005D+01  0.121811D+02 -0.448997D+01 -0.159669D+01
      2  -0.184896D+01 -0.748446D+00 -0.608956D+01  0.140132D+02 -0.281761D+01
      3  -0.334283D+01 -0.378160D+01 -0.609158D+01 -0.952322D+01  0.441430D+01
      4   0.722128D+01  0.555012D+00  0.149902D+02  0.512195D+02  0.900677D+01
      5   0.197610D+01 -0.232770D+00  0.115924D+02  0.929577D+01  0.138901D+02
      6   0.194560D+01  0.164950D+00  0.557851D+01  0.244173D+02  0.811544D+01
               151           152           153           154           155 
      1  -0.389754D+00 -0.145540D+01 -0.535961D+01  0.203966D+03  0.222926D+02
      2   0.104918D+01 -0.886618D+00  0.155761D+01 -0.983028D+02 -0.852144D+01
      3  -0.659430D+00  0.234201D+01  0.380200D+01 -0.105664D+03 -0.137712D+02
      4   0.361032D+00  0.526605D+00  0.415644D+01  0.226049D+02  0.354505D+02
      5  -0.458839D+00  0.416961D+01  0.558771D+00 -0.390991D+02 -0.493896D+01
      6   0.867121D+00  0.450823D+01  0.170133D+01 -0.500430D+01 -0.524861D+01
               156           157           158           159           160 
      1  -0.107234D+02  0.330894D+02  0.339856D+02 -0.247640D+01 -0.116888D+02
      2   0.100969D+02 -0.143615D+02 -0.129723D+02  0.239950D+01  0.105365D+02
      3   0.626467D+00 -0.187279D+02 -0.210133D+02  0.768993D-01  0.115231D+01
      4  -0.203891D+01  0.475365D+02  0.257653D+02 -0.413813D+01 -0.341056D+01
      5   0.374640D+02 -0.948341D+01 -0.863979D+01  0.958082D+01  0.369108D+02
      6  -0.159022D+00 -0.937872D+01 -0.493599D+01  0.505658D+01  0.216215D+01
               161           162           163           164           165 
      1  -0.194470D+01  0.210419D+02  0.516229D+02  0.416711D+01 -0.165001D+02
      2   0.156211D+01 -0.150386D+02 -0.365633D+02 -0.134886D+01  0.102642D+02
      3   0.382595D+00 -0.600323D+01 -0.150595D+02 -0.281825D+01  0.623593D+01
      4  -0.189545D+01  0.494927D+01 -0.159033D+01  0.728043D+01  0.367716D+01
      5   0.674578D+01 -0.697673D+01 -0.356323D+02  0.150857D+01  0.182200D+02
      6   0.438887D+01 -0.167015D+01  0.707113D+00 -0.142336D+01 -0.113618D+01
               166           167           168           169           170 
      1   0.128063D+02 -0.812165D+01 -0.363526D+01  0.227941D+01 -0.298837D+01
      2  -0.672192D+01  0.283268D+01  0.242570D+01  0.139585D+01  0.614941D+00
      3  -0.608442D+01  0.528897D+01  0.120956D+01 -0.367526D+01  0.237343D+01
      4   0.381162D+01 -0.481250D+01 -0.115453D+02  0.515149D+01 -0.675414D+01
      5  -0.440058D+01 -0.111088D+02 -0.803873D+00  0.149065D+02 -0.709028D+01
      6  -0.121261D+01  0.440269D+01  0.117633D+02 -0.378467D+01  0.120115D+02
               171           172           173           174           175 
      1  -0.341047D+02 -0.507216D+02 -0.573774D+01 -0.549735D+01 -0.906736D+01
      2  -0.109626D+02  0.323965D+02  0.274695D+01 -0.512115D+01  0.549581D+01
      3   0.450673D+02  0.183250D+02  0.299079D+01  0.106185D+02  0.357155D+01
      4  -0.858734D+01  0.231404D+01 -0.475096D+01 -0.314743D+01  0.561747D+00
      5  -0.444042D+02  0.276632D+02 -0.162515D+01 -0.160021D+02  0.266631D+01
      6   0.992556D+01 -0.452813D-01  0.418025D+01  0.401348D+01  0.733870D+00
               176           177           178           179           180 
      1  -0.626504D+01 -0.227509D+01  0.110240D+02 -0.710710D+00 -0.977739D+01
      2   0.423629D+01  0.755531D+00 -0.127593D+02  0.328139D+00  0.529567D+01
      3   0.202875D+01  0.151955D+01  0.173527D+01  0.382571D+00  0.448172D+01
      4  -0.223211D+01 -0.320724D+01 -0.209814D+01  0.799133D+00  0.873149D+00
      5  -0.220886D+01 -0.217399D+01 -0.125449D+02  0.613553D+00  0.362054D+01
      6   0.246279D+01  0.359096D+01  0.333922D+01  0.831452D+00  0.113213D+00
               181           182           183           184           185 
      1   0.139917D+01 -0.543478D+02  0.350928D+01  0.955062D+02  0.269776D+02
      2   0.124093D+01  0.387754D+02 -0.151019D+00 -0.664503D+02 -0.233277D+02
      3  -0.264009D+01  0.155723D+02 -0.335826D+01 -0.290559D+02 -0.364994D+01
      4  -0.147786D+02  0.478957D+02 -0.684718D+01  0.166493D+02 -0.387468D+02
      5  -0.567523D+01 -0.907792D+01  0.207071D+02  0.570493D+01  0.772457D+01
      6  -0.403309D+01 -0.275558D+01  0.120018D+02  0.644048D+01  0.293451D+01
               186           187           188           189           190 
      1   0.328439D+01 -0.145086D+02 -0.878387D+01  0.457572D+01  0.132721D+03
      2  -0.232231D+01  0.130215D+02  0.720802D+01 -0.946624D+01 -0.675908D+02
      3  -0.962083D+00  0.148710D+01  0.157584D+01  0.489052D+01 -0.651298D+02
      4   0.845855D+01 -0.240504D+01  0.111586D+02  0.171613D+02 -0.525668D-01
      5   0.883238D+01  0.323738D+02  0.155790D+02 -0.243861D+01 -0.301209D+01
      6   0.299590D+01  0.162811D+02  0.840648D+01  0.306385D+01 -0.152553D+01
               191           192           193           194           195 
      1   0.213413D+02  0.502569D+01 -0.488942D+02 -0.229259D+02  0.161019D+01
      2  -0.103155D+02 -0.163002D+01  0.431220D+02  0.282943D+02 -0.367150D+01
      3  -0.110258D+02 -0.339567D+01  0.577221D+01 -0.536836D+01  0.206131D+01
      4   0.342646D+02 -0.256431D+01 -0.177265D+02  0.618390D+02 -0.836964D+01
      5  -0.222937D+01  0.554518D+01  0.488448D+01 -0.741653D+01 -0.728801D+00
      6  -0.256195D+01 -0.409591D+01 -0.695740D+01 -0.411204D+01 -0.468261D+01
               196           197           198           199           200 
      1   0.656188D+01  0.645603D+01  0.260887D+02 -0.114109D+03 -0.475501D+01
      2  -0.620946D+01 -0.538994D+01 -0.230538D+02  0.439456D+02 -0.216857D+01
      3  -0.352422D+00 -0.106609D+01 -0.303486D+01  0.701630D+02  0.692359D+01
      4   0.800310D+01 -0.388265D+01 -0.751849D+00 -0.618026D+01 -0.328848D+02
      5   0.534510D+02  0.413146D+01  0.417055D+01 -0.184690D+01  0.755286D+01
      6  -0.164265D+01  0.435051D+01  0.146900D+01  0.701378D+01  0.183504D+00
               201           202           203           204           205 
      1  -0.592052D+01 -0.735441D+02 -0.444783D+01 -0.609678D+01  0.186608D-01
      2   0.284236D+01  0.455597D+02 -0.111960D+02  0.585881D+01 -0.228846D+01
      3   0.307816D+01  0.279844D+02  0.156438D+02  0.237975D+00  0.226980D+01
      4   0.558739D+01  0.244179D+01 -0.205964D+02 -0.194834D+01  0.187575D+01
      5   0.256205D+01 -0.186444D+01 -0.282010D+01 -0.109451D+02  0.201553D+01
      6   0.604978D+00 -0.138587D+01  0.642693D+01  0.639927D+01 -0.241387D+01
               206           207           208           209           210 
      1   0.463081D+00 -0.217063D+02 -0.110146D+02 -0.301679D+02 -0.153658D+01
      2   0.395697D+01  0.366445D+01  0.368792D+01  0.155404D+02 -0.907451D+00
      3  -0.442005D+01  0.180419D+02  0.732669D+01  0.146275D+02  0.244403D+01
      4  -0.774717D+01 -0.234849D+02 -0.251463D+02  0.893068D+01  0.554146D-01
      5  -0.257033D+02  0.348929D+01  0.271186D+01  0.469777D+00  0.270968D+02
      6   0.169236D+02 -0.108269D+01  0.101247D+00  0.219301D+01  0.348607D+01
               211           212           213           214           215 
      1   0.271318D+01  0.117797D+02 -0.235322D+01 -0.175355D+01 -0.304452D+01
      2  -0.670868D+01 -0.288382D+01  0.196541D+01 -0.136697D+00  0.245605D+01
      3   0.399550D+01 -0.889587D+01  0.387811D+00  0.189025D+01  0.588478D+00
      4   0.369184D+02 -0.200751D+02  0.454146D+01 -0.452995D+01  0.127325D+01
      5  -0.523064D+01  0.277286D+01  0.796962D+01  0.792273D+01 -0.569927D+01
      6   0.183735D+01 -0.450827D+00  0.749032D+01 -0.320640D+01  0.435767D+01
               216           217           218           219           220 
      1   0.191015D+00 -0.284330D+02  0.536442D+02 -0.504528D+01  0.519020D+02
      2   0.817765D+00  0.166157D+02 -0.276055D+02  0.307560D+01 -0.227971D+02
      3  -0.100878D+01  0.118173D+02 -0.260387D+02  0.196967D+01 -0.291050D+02
      4  -0.661754D+01  0.533990D+02 -0.760704D+01  0.792807D+01 -0.384304D+02
      5   0.334968D+01 -0.614849D+01  0.821733D+01 -0.187797D+02  0.122774D+02
      6  -0.168345D+01  0.323141D+01 -0.205571D+00 -0.244086D+01 -0.290639D+01
               221           222           223           224           225 
      1  -0.141405D+02  0.156652D+02 -0.246989D+01  0.124775D+02 -0.121049D+02
      2   0.832446D+01 -0.679518D+01 -0.656512D-01 -0.597789D+01  0.716392D+01
      3   0.581607D+01 -0.887005D+01  0.253554D+01 -0.649958D+01  0.494099D+01
      4  -0.193010D+02 -0.135496D+02  0.102324D+02 -0.925570D+01 -0.501227D+02
      5  -0.126033D+02 -0.741988D+02 -0.353947D+02 -0.514474D+02  0.149871D+02
      6  -0.373562D+01 -0.134746D+02 -0.113058D+02 -0.101317D+02 -0.133310D+01
               226           227           228           229           230 
      1  -0.419854D+01  0.125718D+02 -0.192725D+01  0.238183D+01 -0.505435D+02
      2   0.553957D+01 -0.114271D+02  0.134438D+01 -0.918574D+00  0.642415D+02
      3  -0.134104D+01 -0.114466D+01  0.582870D+00 -0.146325D+01 -0.136980D+02
      4   0.269783D+01  0.490558D+01 -0.754298D-02  0.433005D+01  0.264388D+02
      5  -0.598902D+00  0.186253D+00  0.118862D+01 -0.307117D+00 -0.521468D+01
      6  -0.101721D+01  0.194897D+01 -0.130752D+01 -0.230833D+00 -0.981200D+01
               231           232           233           234           235 
      1   0.565539D+01 -0.805253D+00  0.662616D+01 -0.213163D+01  0.378777D+02
      2  -0.537681D+01  0.486239D+00 -0.735887D+01  0.246987D+01 -0.120922D+02
      3  -0.278588D+00  0.319014D+00  0.732714D+00 -0.338241D+00 -0.257855D+02
      4  -0.311775D+01  0.195028D-01 -0.296949D+01 -0.105142D+01  0.371319D+02
      5   0.293704D+01  0.169082D+01 -0.328219D+00  0.711071D-01 -0.140457D+01
      6   0.798339D+01 -0.545485D-01  0.324546D+01 -0.162218D+01  0.477879D-01
               236           237           238           239           240 
      1   0.170758D+02  0.760958D+00  0.255504D+02  0.103563D+02  0.911792D-01
      2  -0.227333D+01 -0.340538D+00 -0.220525D+01  0.776500D+01  0.669670D-01
      3  -0.148025D+02 -0.420420D+00 -0.233451D+02 -0.181213D+02 -0.158146D+00
      4   0.261975D+02  0.163039D+00  0.391824D+02  0.379652D+02 -0.762227D+00
      5  -0.119796D+01  0.368764D+01 -0.284516D+01 -0.269537D+01  0.490546D+01
      6  -0.206486D+00  0.189274D+01 -0.130341D+01 -0.941175D+00  0.378384D+01
               241           242           243           244           245 
      1   0.228759D+00  0.132445D+00 -0.114458D+01 -0.193216D+01 -0.521808D+01
      2  -0.961780D+00 -0.682368D+00  0.102096D+01  0.540480D+01 -0.173411D+01
      3   0.733021D+00  0.549923D+00  0.123615D+00 -0.347264D+01  0.695219D+01
      4  -0.128211D+01 -0.171875D+01  0.135721D+01 -0.153550D+02  0.174579D+02
      5  -0.214535D+01  0.100562D+01 -0.540635D+00  0.121150D+01 -0.180797D+01
      6  -0.102620D+01  0.112262D+01 -0.510603D+00 -0.978439D+00  0.135798D+01
               246           247           248           249           250 
      1   0.155692D+00 -0.147099D+01 -0.207670D+02  0.249015D+01 -0.161011D+00
      2   0.223003D+00 -0.868527D+01  0.371059D+02 -0.312350D+01  0.805263D+00
      3  -0.378695D+00  0.101563D+02 -0.163389D+02  0.633348D+00 -0.644253D+00
      4  -0.256866D+01  0.245741D+02 -0.524301D+02  0.616195D+01 -0.354252D+01
      5   0.271911D+01 -0.208979D+01  0.366928D+01 -0.572635D+01  0.192431D+01
      6  -0.144975D+01  0.185975D+01 -0.530609D+01  0.695649D+01 -0.232414D+01
               251           252           253           254           255 
      1   0.169312D+01 -0.143581D+01  0.181815D+02  0.515200D+01 -0.156948D+02
      2  -0.349375D+01  0.265453D+01 -0.972179D+01 -0.223618D+01  0.771784D+01
      3   0.180063D+01 -0.121872D+01 -0.845972D+01 -0.291582D+01  0.797700D+01
      4   0.700467D+01 -0.148452D+01  0.634320D+01  0.538203D+01 -0.715112D+01
      5  -0.226148D+00  0.991777D+00 -0.185829D+02 -0.691799D+01  0.863980D+01
      6   0.269862D+01 -0.168478D+01 -0.274004D+01 -0.865986D+00  0.287650D+00
               256           257           258           259           260 
      1   0.214464D+02  0.110568D+02 -0.100703D+02 -0.514425D+02 -0.105456D+02
      2  -0.108883D+02 -0.349593D+01  0.421769D+01  0.296425D+02  0.515697D+01
      3  -0.105581D+02 -0.756086D+01  0.585256D+01  0.218000D+02  0.538867D+01
      4   0.255253D+02  0.242138D+02 -0.173736D+02 -0.208543D+02 -0.211189D+02
      5  -0.186137D+02 -0.180738D+02  0.317803D+02  0.444100D+02  0.282421D+02
      6  -0.358238D+01 -0.437569D+01  0.753946D+01  0.721008D+01  0.716365D+01
               261           262           263           264           265 
      1   0.175336D+02  0.994325D+01  0.464997D+01  0.132613D+02  0.211115D+02
      2  -0.157535D+02 -0.584914D+01 -0.212645D+01 -0.612924D+01 -0.109966D+02
      3  -0.178017D+01 -0.409411D+01 -0.252352D+01 -0.713205D+01 -0.101149D+02
      4   0.268777D+02  0.460136D+01  0.366859D+01  0.328582D+01  0.292651D+02
      5  -0.624050D+02  0.129962D+02  0.294597D+01  0.243708D+01  0.188094D+02
      6  -0.800252D+01  0.241641D+01  0.108655D+00 -0.483051D+00  0.673413D+01
               266           267           268           269           270 
      1   0.812893D+01  0.410679D+01  0.366951D+02  0.324581D+01  0.815106D+01
      2  -0.124213D+01 -0.285577D+01 -0.215326D+02 -0.268123D+01 -0.123059D+02
      3  -0.688680D+01 -0.125102D+01 -0.151624D+02 -0.564575D+00  0.415483D+01
      4   0.374285D+02  0.273034D+02  0.181908D+02  0.269726D+02  0.312770D+02
      5   0.268539D+02  0.372036D+02  0.360142D+02  0.316516D+02  0.487296D+02
      6   0.998463D+01  0.108326D+02  0.845120D+01  0.102849D+02  0.114313D+02
               271           272           273           274           275 
      1   0.168251D+03 -0.388933D+02  0.139448D+02 -0.796340D+02  0.293861D+02
      2  -0.865251D+02  0.195958D+02 -0.816502D+01  0.398311D+02 -0.131186D+02
      3  -0.817259D+02  0.192975D+02 -0.577982D+01  0.398029D+02 -0.162675D+02
      4  -0.465342D+02  0.236626D+02 -0.432615D+01  0.394856D+02 -0.282543D+02
      5   0.173021D+02 -0.421539D+01  0.181993D+02 -0.846746D+01  0.499029D+01
      6  -0.180870D+01  0.995025D+00 -0.102531D+01  0.181680D+01 -0.127215D+01
               276           277           278           279 
      1  -0.695798D+01  0.176820D+02 -0.458437D+01  0.166388D+02
      2   0.400789D+01 -0.104666D+02  0.265753D+01 -0.987381D+01
      3   0.295009D+01 -0.721542D+01  0.192684D+01 -0.676502D+01
      4   0.518122D+01 -0.540334D+01  0.452022D+01 -0.172387D+01
      5  -0.766995D+01  0.245511D+02 -0.149336D+01  0.549145D+01
      6   0.243774D+01 -0.179123D+01  0.289179D+01 -0.582784D+00
 Leave Link  716 at Fri Aug 13 15:45:47 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312116D+03  0.150671D+02  0.116968D+02
      2   0.150671D+02  0.169750D+03 -0.374116D+01
      3   0.116968D+02 -0.374116D+01  0.122206D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837180D+01  0.275776D+02  0.720066D+01
      2  -0.475573D+02  0.100203D+02  0.249913D+02
      3   0.945586D+01  0.608654D+02 -0.714297D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.349991D+03 -0.111037D+02 -0.482326D+02
      2   0.143012D+03  0.157543D+02 -0.649397D+01
      3   0.206979D+03 -0.465054D+01  0.547265D+02
      4  -0.189089D+02 -0.148068D+03  0.223274D+02
      5   0.316329D+02  0.209687D+02  0.605830D+02
      6   0.531022D+01  0.463245D+02 -0.242677D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.387238D+02  0.822967D+01  0.142400D+01 -0.492583D+02 -0.495633D+01
      2   0.822967D+01  0.358816D+01  0.305808D+00 -0.495633D+01 -0.519218D+01
      3   0.142400D+01  0.305808D+00 -0.354752D+00 -0.279465D+01  0.961735D-01
                 6             7             8             9            10 
      1  -0.279465D+01  0.788157D+01  0.133719D+01  0.182272D+01 -0.299614D+02
      2   0.961735D-01  0.133719D+01  0.622784D+00 -0.106871D+01 -0.650937D+01
      3   0.338751D-01  0.182272D+01 -0.106871D+01  0.391644D+00 -0.970125D+00
                11            12            13            14            15 
      1  -0.650937D+01 -0.970125D+00  0.530147D+02  0.603858D+01  0.315561D+01
      2  -0.598687D+00 -0.285524D+00  0.603858D+01  0.615741D+01 -0.308762D-01
      3  -0.285524D+00 -0.449723D-01  0.315561D+01 -0.308762D-01 -0.228129D+00
                16            17            18            19            20 
      1  -0.800490D+01 -0.128954D+01 -0.907836D+00 -0.522066D+02 -0.104043D+02
      2  -0.128954D+01 -0.528334D+00  0.988335D+00 -0.104043D+02 -0.975642D+01
      3  -0.907836D+00  0.988335D+00 -0.184912D+00 -0.136736D+01  0.398455D+00
                21            22            23            24            25 
      1  -0.136736D+01 -0.157741D+02 -0.190451D+01  0.210161D+00 -0.239944D+01
      2   0.398455D+00 -0.190451D+01 -0.489598D+01 -0.500082D+00  0.242372D+00
      3  -0.523928D+00  0.210161D+00 -0.500082D+00 -0.213218D+01  0.655056D+00
                26            27            28            29            30 
      1   0.242372D+00  0.655056D+00  0.504278D+02  0.417312D+01  0.113067D+01
      2  -0.113650D+01 -0.380516D+01  0.417312D+01  0.619970D+01 -0.295115D-01
      3  -0.380516D+01  0.117305D+01  0.113067D+01 -0.295115D-01  0.228563D+01
                31            32            33            34            35 
      1   0.217758D+01  0.357550D+01  0.611301D+00  0.535811D-01  0.730600D+00
      2   0.357550D+01  0.149282D+02 -0.818495D+00  0.730600D+00 -0.328185D+00
      3   0.611301D+00 -0.818495D+00  0.412099D+00  0.649009D+01  0.725549D+00
                36            37            38            39            40 
      1   0.649009D+01  0.962784D+01 -0.136035D+01  0.531313D+00  0.886868D+01
      2   0.725549D+00 -0.136035D+01  0.127145D+02 -0.996159D+00  0.111524D+01
      3   0.728307D+00  0.531313D+00 -0.996159D+00  0.241384D+01  0.441486D+00
                41            42            43            44            45 
      1   0.111524D+01  0.441486D+00 -0.584135D-01  0.145702D+00  0.464191D+01
      2  -0.931779D+01  0.123466D+01  0.145702D+00  0.246699D+01  0.162610D+01
      3   0.123466D+01  0.883687D+00  0.464191D+01  0.162610D+01  0.690770D+00
                46            47            48            49            50 
      1  -0.135218D+02  0.260397D+01 -0.150768D+01  0.161860D+01  0.255923D+01
      2   0.260397D+01 -0.903290D+01  0.217252D+00  0.255923D+01  0.114951D+01
      3  -0.150768D+01  0.217252D+00 -0.152193D+01 -0.342241D+00  0.820223D+00
                51            52            53            54            55 
      1  -0.342241D+00 -0.111930D+01 -0.620519D+00 -0.914766D+00  0.393301D+01
      2   0.820223D+00 -0.620519D+00  0.190246D+00  0.449616D+01 -0.344507D+01
      3   0.173605D+01 -0.914766D+00  0.449616D+01 -0.119117D+01  0.656348D+00
                56            57            58            59            60 
      1  -0.344507D+01  0.656348D+00 -0.321338D+01 -0.397836D+01  0.394661D+00
      2   0.648682D+01 -0.488375D+00 -0.397836D+01 -0.278781D+01 -0.657322D+00
      3  -0.488375D+00  0.218875D+01  0.394661D+00 -0.657322D+00 -0.166926D+01
                61            62            63            64            65 
      1   0.731146D+00  0.483681D+00 -0.154861D+00  0.413363D+00 -0.197259D+01
      2   0.483681D+00 -0.129077D+00 -0.430301D+01 -0.197259D+01  0.102734D+01
      3  -0.154861D+00 -0.430301D+01  0.137677D+01  0.275728D+00 -0.269064D+00
                66            67            68            69            70 
      1   0.275728D+00 -0.205635D+01  0.258658D+01 -0.458471D+00  0.441430D+00
      2  -0.269064D+00  0.258658D+01 -0.761654D+01  0.109605D+01 -0.509639D+00
      3   0.138948D+00 -0.458471D+00  0.109605D+01 -0.905624D+00  0.116953D-01
                71            72            73            74            75 
      1  -0.509639D+00  0.116953D-01  0.663209D+01  0.316661D+01  0.152286D+00
      2   0.101896D+01 -0.201496D+00  0.316661D+01  0.272325D+01 -0.103440D-01
      3  -0.201496D+00  0.191564D+00  0.152286D+00 -0.103440D-01  0.481963D+00
                76            77            78            79            80 
      1   0.441671D+01  0.400531D+01 -0.545411D-01 -0.347339D-02 -0.315777D+00
      2   0.400531D+01  0.406387D+01 -0.173254D-01 -0.315777D+00 -0.241399D+00
      3  -0.545411D-01 -0.173254D-01  0.607618D+00 -0.437212D+00  0.284791D+00
                81            82            83            84            85 
      1  -0.437212D+00 -0.704169D+00  0.135925D+01 -0.206286D+00  0.564653D+00
      2   0.284791D+00  0.135925D+01 -0.156794D+01  0.256992D+00 -0.683451D+00
      3  -0.203946D+00 -0.206286D+00  0.256992D+00 -0.133331D+00  0.517956D-01
                86            87            88            89            90 
      1  -0.683451D+00  0.517956D-01 -0.241088D+00  0.222114D+00  0.128879D+00
      2   0.106130D+02 -0.104422D+01  0.222114D+00 -0.133340D+01  0.187561D+00
      3  -0.104422D+01  0.964937D+00  0.128879D+00  0.187561D+00 -0.131089D+00
                91            92            93            94            95 
      1  -0.169072D+02 -0.183534D+01 -0.247574D-01 -0.809189D+00 -0.232477D+00
      2  -0.183534D+01  0.406636D+00 -0.629793D+00 -0.232477D+00  0.481910D+01
      3  -0.247574D-01 -0.629793D+00 -0.347486D+01 -0.204220D+01 -0.747164D+00
                96            97            98            99           100 
      1  -0.204220D+01  0.388392D+00 -0.145857D+01 -0.768697D+01 -0.565177D+01
      2  -0.747164D+00 -0.145857D+01 -0.595176D+00 -0.976640D+00  0.277207D+01
      3  -0.992037D+00 -0.768697D+01 -0.976640D+00  0.252498D+00 -0.142975D+01
               101           102           103           104           105 
      1   0.277207D+01 -0.142975D+01  0.718838D+01 -0.104252D+00  0.162320D+01
      2  -0.500482D+00  0.317748D+00 -0.104252D+00 -0.471843D+01 -0.288571D-01
      3   0.317748D+00  0.379268D+01  0.162320D+01 -0.288571D-01  0.260655D+01
               106           107           108           109           110 
      1   0.428692D+01  0.109653D+01  0.554157D+01 -0.710668D+01 -0.157334D+01
      2   0.109653D+01  0.599224D+00  0.199562D+01 -0.157334D+01 -0.268728D+00
      3   0.554157D+01  0.199562D+01 -0.308840D+00  0.448080D+00  0.552313D+00
               111           112           113           114           115 
      1   0.448080D+00 -0.200099D+01 -0.154594D+00  0.127256D+01 -0.767723D+01
      2   0.552313D+00 -0.154594D+00 -0.946799D+00 -0.906044D-01  0.496890D+00
      3   0.153322D+01  0.127256D+01 -0.906044D-01  0.658856D+00  0.440274D+01
               116           117           118           119           120 
      1   0.496890D+00  0.440274D+01 -0.158845D+01 -0.980388D+00  0.892275D-01
      2  -0.895269D+00  0.351601D+00 -0.980388D+00  0.400204D+00 -0.168059D-01
      3   0.351601D+00 -0.810474D+00  0.892275D-01 -0.168059D-01  0.716832D+00
               121           122           123           124           125 
      1  -0.284593D+01  0.172865D+01 -0.766570D-01 -0.207469D+00 -0.877741D-01
      2   0.172865D+01 -0.648287D+01  0.804269D+00 -0.877741D-01  0.706871D+00
      3  -0.766570D-01  0.804269D+00 -0.153310D+01  0.113541D+01 -0.943575D+00
               126           127           128           129           130 
      1   0.113541D+01  0.142931D+02 -0.162907D+01  0.346528D+01 -0.377108D+01
      2  -0.943575D+00 -0.162907D+01  0.128552D+01 -0.261293D+00  0.160354D+01
      3   0.730119D+00  0.346528D+01 -0.261293D+00  0.216908D+01 -0.115892D+01
               131           132           133           134           135 
      1   0.160354D+01 -0.115892D+01  0.138954D+01 -0.326252D+00  0.120913D+01
      2  -0.491059D+00  0.412633D+00 -0.326252D+00 -0.256008D-01 -0.444498D+00
      3   0.412633D+00 -0.110479D+01  0.120913D+01 -0.444498D+00  0.607483D+00
               136           137           138           139           140 
      1  -0.634830D+00 -0.397563D+00  0.913694D+00 -0.115077D+01  0.273851D-01
      2  -0.397563D+00 -0.491060D+00  0.180446D+00  0.273851D-01 -0.151971D+00
      3   0.913694D+00  0.180446D+00 -0.332130D+01 -0.237421D+00  0.107035D+01
               141           142           143           144           145 
      1  -0.237421D+00  0.797795D+00 -0.747568D-01 -0.485403D+00  0.121290D+01
      2   0.107035D+01 -0.747568D-01  0.102040D+01 -0.860755D+00  0.740448D+00
      3  -0.188001D+01 -0.485403D+00 -0.860755D+00  0.741570D+01  0.166130D+00
               146           147           148           149           150 
      1   0.740448D+00  0.166130D+00  0.243147D+01  0.122578D+01  0.897095D+00
      2   0.490083D+00  0.354807D-01  0.122578D+01  0.632129D+01  0.111888D+01
      3   0.354807D-01 -0.333205D+00  0.897095D+00  0.111888D+01  0.175592D+01
               151           152           153           154           155 
      1  -0.319337D+00  0.765511D-01 -0.228939D+00  0.205017D+02  0.224835D+01
      2   0.765511D-01  0.210416D-01  0.570788D+00  0.224835D+01  0.171085D+01
      3  -0.228939D+00  0.570788D+00  0.281683D+00 -0.145952D+01 -0.105201D+00
               156           157           158           159           160 
      1  -0.145952D+01  0.467031D+01  0.407314D+01 -0.706140D+00 -0.209802D+01
      2  -0.105201D+00  0.407314D+01  0.215287D+01 -0.311928D+00 -0.430323D+00
      3   0.276318D+01 -0.706140D+00 -0.311928D+00  0.745503D+00  0.265829D+01
               161           162           163           164           165 
      1  -0.430323D+00  0.265829D+01  0.124957D+02  0.243539D-01 -0.407820D+01
      2   0.325375D+00  0.641051D+00  0.243539D-01 -0.212335D-01  0.453989D+00
      3   0.641051D+00  0.526648D-01 -0.407820D+01  0.453989D+00  0.894371D+00
               166           167           168           169           170 
      1   0.241343D+01 -0.548437D-01 -0.367192D+00 -0.175499D+01  0.622938D+00
      2  -0.548437D-01 -0.681362D+00 -0.146562D+01  0.622938D+00 -0.672353D+00
      3  -0.367192D+00 -0.146562D+01 -0.194486D+00  0.719116D+00 -0.948739D+00
               171           172           173           174           175 
      1   0.719116D+00 -0.108087D+02  0.831590D-01  0.218730D+01 -0.103607D+01
      2  -0.948739D+00  0.831590D-01 -0.332546D+00 -0.675983D+00  0.919832D-01
      3  -0.733967D+01  0.218730D+01 -0.675983D+00 -0.279151D+01 -0.883935D-02
               176           177           178           179           180 
      1   0.919832D-01 -0.883935D-02  0.617215D+01 -0.602853D+00 -0.224579D+01
      2  -0.747878D+00 -0.731251D+00 -0.602853D+00 -0.992361D+00  0.734884D-01
      3  -0.731251D+00 -0.591606D+00 -0.224579D+01  0.734884D-01 -0.341756D+00
               181           182           183           184           185 
      1  -0.765565D+01  0.600978D+00 -0.746432D-01 -0.142811D+02 -0.176423D+01
      2   0.600978D+00 -0.107283D+02  0.126813D+01 -0.176423D+01  0.656216D+01
      3  -0.746432D-01  0.126813D+01 -0.288232D+01 -0.127093D+01 -0.142945D+01
               186           187           188           189           190 
      1  -0.127093D+01  0.169792D+01 -0.384661D-01 -0.435852D+01 -0.396019D+02
      2  -0.142945D+01 -0.384661D-01 -0.210668D+01 -0.231944D+01 -0.471030D+01
      3  -0.125260D+01 -0.435852D+01 -0.231944D+01 -0.214965D+00 -0.138451D+01
               191           192           193           194           195 
      1  -0.471030D+01 -0.138451D+01  0.944132D+00 -0.320702D+01 -0.234771D+00
      2  -0.104263D+02  0.427505D+00 -0.320702D+01 -0.126399D+02  0.140105D+01
      3   0.427505D+00 -0.385192D+01 -0.234771D+00  0.140105D+01  0.400395D+00
               196           197           198           199           200 
      1  -0.204554D+01 -0.778540D+00 -0.729221D+01  0.408245D+02  0.951295D+01
      2  -0.778540D+00  0.386744D+00 -0.537064D+00  0.951295D+01  0.787713D+01
      3  -0.729221D+01 -0.537064D+00 -0.133849D+01  0.156895D+01 -0.657085D+00
               201           202           203           204           205 
      1   0.156895D+01  0.150247D+02  0.259720D+01  0.599372D+00  0.177242D+01
      2  -0.657085D+00  0.259720D+01  0.568322D+01  0.330344D+00  0.818963D-01
      3   0.730587D+00  0.599372D+00  0.330344D+00  0.237517D+01  0.916192D-01
               206           207           208           209           210 
      1   0.818963D-01  0.916192D-01  0.103833D+02  0.370546D+01  0.362439D+00
      2   0.113161D+01  0.463561D+01  0.370546D+01  0.347264D+01 -0.681626D-01
      3   0.463561D+01 -0.116706D+01  0.362439D+00 -0.681626D-01  0.151833D+00
               211           212           213           214           215 
      1  -0.285437D+01 -0.323369D+01  0.228236D+00  0.103896D+01  0.604395D+00
      2  -0.323369D+01  0.141447D+01 -0.463964D+00  0.604395D+00  0.280270D+00
      3   0.228236D+00 -0.463964D+00 -0.103534D+01  0.679537D-01  0.717866D+00
               216           217           218           219           220 
      1   0.679537D-01 -0.263552D+01 -0.440733D+01  0.174325D-02 -0.371246D+01
      2   0.717866D+00 -0.440733D+01 -0.495712D+00 -0.608678D+00  0.291983D+01
      3  -0.174548D-01  0.174325D-02 -0.608678D+00  0.901784D+00 -0.853785D+00
               221           222           223           224           225 
      1   0.291983D+01 -0.853785D+00 -0.267857D+00 -0.744542D+00  0.288010D+01
      2   0.119095D+01  0.120634D+01 -0.744542D+00  0.813720D+00  0.431421D+01
      3   0.120634D+01  0.589235D+01  0.288010D+01  0.431421D+01 -0.107701D+01
               226           227           228           229           230 
      1   0.282584D+00 -0.132346D+01  0.172269D+00 -0.338954D+00  0.144530D+00
      2  -0.132346D+01  0.152925D+01 -0.272041D+00  0.144530D+00 -0.100789D+02
      3   0.172269D+00 -0.272041D+00  0.120335D+00  0.108106D-01  0.106128D+01
               231           232           233           234           235 
      1   0.108106D-01  0.533001D-01 -0.122043D+00 -0.805656D-01 -0.654647D+01
      2   0.106128D+01 -0.122043D+00  0.123655D+01 -0.166012D+00 -0.346523D+01
      3  -0.933700D+00 -0.805656D-01 -0.166012D+00  0.113108D+00 -0.159060D+00
               236           237           238           239           240 
      1  -0.346523D+01 -0.159060D+00 -0.529530D+01 -0.413633D+01  0.137557D+00
      2  -0.259553D+01 -0.373453D-02 -0.413633D+01 -0.412117D+01  0.680178D-01
      3  -0.373453D-02 -0.284962D+00  0.137557D+00  0.680178D-01 -0.496437D+00
               241           242           243           244           245 
      1  -0.215666D-01  0.204533D+00  0.471789D+00 -0.629298D+00  0.214229D+01
      2   0.204533D+00  0.207949D+00 -0.803411D-01  0.214229D+01 -0.165546D+01
      3   0.471789D+00 -0.803411D-01  0.130163D+00 -0.239439D+00  0.312577D+00
               246           247           248           249           250 
      1  -0.239439D+00  0.257248D+01 -0.323206D+01  0.434774D+00 -0.294443D+00
      2   0.312577D+00 -0.323206D+01  0.873112D+01 -0.106151D+01  0.513020D+00
      3  -0.291656D+00  0.434774D+00 -0.106151D+01  0.100743D+01 -0.242131D+00
               251           252           253           254           255 
      1   0.513020D+00 -0.242131D+00 -0.703820D+00 -0.357406D+00  0.148682D+01
      2  -0.109593D+01  0.146545D+00 -0.357406D+00 -0.847483D-01  0.463704D+00
      3   0.146545D+00 -0.154409D+00  0.148682D+01  0.463704D+00 -0.414034D+00
               256           257           258           259           260 
      1  -0.211920D+01 -0.184791D+01  0.139118D+01  0.537613D+01  0.158507D+01
      2  -0.184791D+01 -0.188785D+01  0.146842D+01  0.158507D+01  0.171937D+01
      3   0.139118D+01  0.146842D+01 -0.252543D+01 -0.334681D+01 -0.233536D+01
               261           262           263           264           265 
      1  -0.334681D+01 -0.122201D+00 -0.230487D+00 -0.977501D+00 -0.231837D+01
      2  -0.233536D+01 -0.230487D+00  0.977383D-01 -0.118462D+00 -0.218530D+01
      3   0.516799D+01 -0.977501D+00 -0.118462D+00  0.102743D+00 -0.148551D+01
               266           267           268           269           270 
      1  -0.218530D+01 -0.148551D+01 -0.404846D+01 -0.142632D+01 -0.285176D+01
      2  -0.310579D+01 -0.240291D+01 -0.142632D+01 -0.232704D+01 -0.280543D+01
      3  -0.240291D+01 -0.312731D+01 -0.285176D+01 -0.280543D+01 -0.442684D+01
               271           272           273           274           275 
      1  -0.127652D+02  0.323890D+01 -0.115345D+01  0.693017D+01 -0.261715D+01
      2   0.323890D+01 -0.145378D+01  0.305816D+00 -0.261715D+01  0.207712D+01
      3  -0.115345D+01  0.305816D+00 -0.116111D+01  0.632466D+00 -0.387114D+00
               276           277           278           279 
      1   0.632466D+00 -0.151971D+01  0.382420D+00 -0.169431D+01
      2  -0.387114D+00  0.382420D+00 -0.340808D+00  0.409384D-01
      3   0.521586D+00 -0.169431D+01  0.409384D-01 -0.395422D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164316D+01 -0.365957D+01  0.259629D+00 -0.335551D+01 -0.213763D+01
      2  -0.103983D+02  0.380241D+01 -0.450858D+00  0.143391D+02  0.323795D+01
      3  -0.104293D+02  0.454985D+02 -0.581277D+01  0.434259D+02  0.234751D+02
                 6             7             8             9            10 
      1  -0.171440D+00  0.411193D+01  0.713979D+01 -0.607956D+00 -0.177744D+01
      2   0.181250D+00 -0.214521D+02 -0.188543D+01 -0.166281D+01  0.126208D+02
      3   0.633899D-01 -0.188159D+01  0.173342D+01 -0.204584D+01  0.178052D+02
                11            12            13            14            15 
      1  -0.516714D+01 -0.104023D-01 -0.391893D+01  0.616819D+00  0.592363D+00
      2   0.749240D+01 -0.476651D+01 -0.833565D+01  0.101534D+01 -0.226313D+00
      3   0.557307D+02 -0.458351D+01  0.583282D+02  0.184100D+02  0.243172D+01
                16            17            18            19            20 
      1   0.279588D+01  0.677957D+01 -0.468303D+00 -0.273394D+01  0.491717D+00
      2  -0.200689D+02 -0.173295D+00 -0.153392D+01  0.195983D+02 -0.578819D+00
      3  -0.167111D+01  0.321234D+01  0.116579D+01  0.261426D+02 -0.322901D+02
                21            22            23            24            25 
      1  -0.909511D+00  0.140052D+01 -0.221285D+01 -0.300062D+01  0.373609D+01
      2  -0.613094D+00  0.406667D+01  0.381993D+00 -0.224407D+01 -0.187573D+02
      3   0.549989D+01  0.949202D+01  0.402244D+01  0.552171D+00  0.201312D+01
                26            27            28            29            30 
      1  -0.795633D+00 -0.127575D+01 -0.170735D+01 -0.594499D+00  0.157708D+00
      2  -0.753070D+01  0.577944D+00 -0.167123D+02 -0.517630D+00  0.167145D+01
      3  -0.179955D+01  0.482151D+01 -0.104600D+01  0.625431D+01 -0.134135D+01
                31            32            33            34            35 
      1  -0.385952D+01  0.576545D+01  0.169857D+01  0.239190D+01  0.138156D+02
      2   0.258773D+01 -0.645019D+00  0.178492D+01 -0.148176D+02 -0.196429D+01
      3   0.281918D+02  0.609006D+01 -0.118438D+01  0.224971D+00  0.994105D+00
                36            37            38            39            40 
      1  -0.102827D+01 -0.146029D+01  0.174079D+01 -0.551739D+01 -0.643892D+00
      2  -0.190702D+01  0.228739D+01  0.648944D+00  0.315896D+01 -0.626342D+01
      3  -0.237016D+01  0.321465D+02  0.271236D+01  0.509375D+00 -0.107631D+02
                41            42            43            44            45 
      1  -0.198253D+01  0.172913D+00 -0.155606D+02  0.922151D+01 -0.237527D+01
      2   0.989217D+00  0.519144D+00 -0.759092D+01  0.638578D+01 -0.122297D+01
      3   0.254032D+01  0.921290D+00  0.279094D+01  0.159750D+01  0.626557D+01
                46            47            48            49            50 
      1   0.410044D+01  0.145085D+01  0.464546D+01  0.236394D+01  0.122942D+01
      2  -0.322934D+01 -0.541137D+01  0.109349D+00 -0.354451D+01 -0.320729D+01
      3  -0.589849D+02 -0.369934D+02  0.945319D+00 -0.871638D+01 -0.244055D+02
                51            52            53            54            55 
      1  -0.359186D+01  0.612980D+01 -0.418963D+01  0.312158D+01  0.984097D+00
      2   0.901997D+00 -0.179169D+02  0.189834D+01 -0.202349D+01 -0.103702D+01
      3   0.771939D+00 -0.151691D+01 -0.161899D+01 -0.571057D+01 -0.301997D+02
                56            57            58            59            60 
      1   0.520852D+01  0.436913D+01 -0.907464D-01  0.946939D+00 -0.355719D+01
      2  -0.476587D+01 -0.635364D+01 -0.171424D+01 -0.913774D+00  0.375450D+01
      3  -0.361995D+02  0.395537D+01 -0.645331D+00 -0.278231D+02  0.121933D+01
                61            62            63            64            65 
      1   0.351983D+01 -0.376885D+01  0.146860D+01 -0.582455D+00 -0.482989D-02
      2  -0.226019D+02  0.661167D+01 -0.447132D+01  0.190233D+00  0.496875D+00
      3   0.115056D+01 -0.234942D+01 -0.101395D+02  0.843318D+00  0.273957D+00
                66            67            68            69            70 
      1   0.758053D+00  0.559874D+00 -0.193874D+01 -0.373161D+01  0.148489D+00
      2   0.203793D+00  0.911793D+00  0.160121D+00 -0.125965D+01 -0.179619D+01
      3   0.999738D-01  0.451612D+01  0.554776D+01 -0.651232D+00 -0.170511D+00
                71            72            73            74            75 
      1   0.254945D+01  0.454407D+00 -0.187647D+00  0.210633D+00 -0.256573D+01
      2   0.946115D+00 -0.324731D-01 -0.950617D+00 -0.722215D+00  0.227524D+01
      3  -0.753082D+00 -0.597303D+00  0.975111D+01  0.194356D-01  0.261320D+00
                76            77            78            79            80 
      1   0.102158D+01  0.933887D+00 -0.266244D+01  0.213699D+01  0.895665D+00
      2  -0.132128D+01 -0.958784D+00  0.258512D+01 -0.262249D+01  0.294389D+00
      3   0.244484D+01 -0.179741D+01  0.222217D-01  0.118051D+01  0.100780D-01
                81            82            83            84            85 
      1   0.432341D+00  0.699803D+00 -0.651724D+00  0.972967D+00 -0.318584D+00
      2  -0.435684D+00 -0.375598D+00  0.365457D-01  0.484013D+00  0.369307D+00
      3  -0.104484D+01 -0.450020D+01  0.209615D+01 -0.581180D+00  0.512055D+01
                86            87            88            89            90 
      1   0.254374D+01 -0.517316D+01 -0.116140D+01  0.194719D+01  0.307854D+00
      2  -0.349800D+00 -0.618651D+00 -0.750625D+00 -0.894005D+00  0.291496D+00
      3  -0.344186D+01  0.575858D+00 -0.100003D+01  0.107135D+01  0.107558D+01
                91            92            93            94            95 
      1  -0.183468D+01 -0.444068D+00 -0.126446D+01 -0.233529D+01  0.215429D+01
      2   0.123102D+02 -0.116246D+01 -0.832575D+01 -0.499661D+01 -0.247915D+01
      3   0.676299D+01 -0.568277D+01  0.195854D+01  0.904387D+01 -0.217169D+02
                96            97            98            99           100 
      1  -0.316943D+01 -0.441851D+01  0.284653D+01 -0.834176D+00  0.552144D+01
      2  -0.174462D+01 -0.356540D+02 -0.257254D+01  0.457473D+01  0.965211D+01
      3   0.432730D+01  0.426922D+01  0.356544D+01  0.628743D+01 -0.170401D+02
               101           102           103           104           105 
      1   0.588359D+00 -0.289002D-01 -0.177567D+01 -0.116427D+02 -0.354804D+01
      2  -0.291814D+01  0.224426D+02 -0.180871D+01  0.104778D+01  0.882965D+01
      3  -0.170806D+01 -0.285908D+01  0.369211D+01  0.244670D+02  0.431470D+00
               106           107           108           109           110 
      1   0.195707D+01  0.185108D+01  0.675346D+01  0.536450D+01  0.267892D+01
      2   0.165775D+02  0.722727D+01 -0.111103D+02 -0.156373D+02  0.744941D+00
      3  -0.483502D+01 -0.636661D+00 -0.922688D+01  0.270148D+01  0.141040D+02
               111           112           113           114           115 
      1   0.657058D+01  0.116954D+02 -0.425087D+00 -0.155636D+02  0.584747D+01
      2   0.354320D+01  0.381260D+01 -0.977008D+00 -0.543121D+01  0.115451D+02
      3  -0.385654D+00  0.183938D+02  0.120212D+02 -0.268211D+01  0.341288D+00
               116           117           118           119           120 
      1  -0.501429D+01 -0.358649D+00 -0.432825D+00  0.442626D+00  0.234422D+00
      2  -0.166874D+01 -0.369042D+00  0.132336D+01  0.477997D+00  0.302226D+01
      3  -0.175449D+01 -0.344096D+01  0.667089D+01 -0.149262D+01 -0.133997D+00
               121           122           123           124           125 
      1   0.725101D+00 -0.384333D+01 -0.231048D+01  0.239097D+00  0.787842D+00
      2   0.119687D+01  0.170086D+01 -0.484964D+01  0.212311D+01 -0.268747D+01
      3  -0.100076D+01  0.234142D+02 -0.295266D+01  0.516208D+00 -0.250117D+01
               126           127           128           129           130 
      1   0.384536D+00 -0.310205D+01  0.370506D+01 -0.171830D+00  0.322100D+01
      2   0.166493D+01 -0.105784D+02  0.198842D+01  0.666464D+01  0.171933D+01
      3   0.251564D+01  0.839026D+01 -0.895805D+01  0.147126D+01 -0.648660D+01
               131           132           133           134           135 
      1  -0.602195D+00 -0.314586D+00 -0.981462D+00  0.837660D+00 -0.969842D+00
      2  -0.111021D+01 -0.339253D+01  0.190170D+01 -0.105950D+01  0.993533D-01
      3   0.141634D+01 -0.162217D+01  0.111175D+01 -0.154821D+01  0.210647D+01
               136           137           138           139           140 
      1  -0.153752D+01 -0.248452D+01  0.674813D+00 -0.711967D+00 -0.640757D+00
      2   0.762104D+01  0.186785D+01 -0.144145D+02  0.168644D+01  0.417054D+01
      3   0.210085D+01  0.178168D+01 -0.819377D+00  0.136881D+01  0.315585D+00
               141           142           143           144           145 
      1   0.122456D+01  0.625269D-01  0.425494D+01 -0.268069D+01  0.218558D+01
      2  -0.712168D+01 -0.695614D+01 -0.378423D+01  0.302423D+02 -0.814234D+00
      3  -0.395341D+01  0.453227D+00 -0.329323D+01  0.369761D+01 -0.362875D+01
               146           147           148           149           150 
      1   0.775038D+00  0.255963D+00  0.116273D+01  0.142173D+02 -0.112116D+01
      2  -0.109388D+01 -0.114111D+01 -0.725303D+00  0.212436D+01  0.573430D+01
      3  -0.165284D+01 -0.485588D+00 -0.603049D+00 -0.278726D+02 -0.355924D+01
               151           152           153           154           155 
      1   0.357798D+00  0.680723D+00  0.114351D+01 -0.443377D+01 -0.298749D+01
      2  -0.125585D+01  0.185082D+01  0.134678D+01  0.751863D+01  0.108641D+01
      3  -0.140519D+01  0.467553D+00 -0.248219D+01 -0.132700D+02 -0.225227D+02
               156           157           158           159           160 
      1  -0.234795D+01 -0.804872D+01 -0.247796D+01  0.609717D+00 -0.313707D+00
      2   0.218027D+02 -0.368479D+01  0.155664D+01  0.727661D+01  0.769694D+01
      3   0.189002D+00 -0.170087D+02 -0.142691D+02  0.205689D+01  0.128064D+01
               161           162           163           164           165 
      1   0.337736D+01 -0.902804D+00 -0.656077D+01 -0.144776D+01 -0.171954D+00
      2   0.284194D+01  0.110299D+01  0.106207D+02  0.278911D+01  0.697011D+00
      3   0.189598D+01 -0.334771D+01 -0.900930D+01 -0.389701D+01  0.690254D+00
               166           167           168           169           170 
      1  -0.460659D+01  0.165182D+01  0.438414D+01  0.205603D+01  0.812187D+01
      2   0.369501D+01 -0.588396D+01  0.513433D+00 -0.795528D+01 -0.301186D+01
      3  -0.158818D+01  0.221422D+01  0.722850D+01 -0.202666D+00  0.323494D+01
               171           172           173           174           175 
      1  -0.347826D+01  0.605304D+01  0.135571D+01 -0.225933D+01  0.490110D+01
      2  -0.255457D+02 -0.214902D+02 -0.276988D+01 -0.575413D+01 -0.363381D+01
      3   0.379540D+01  0.962171D+01  0.220263D+01  0.735954D-01  0.573452D+01
               176           177           178           179           180 
      1  -0.543236D+00 -0.218324D+01 -0.279501D+01 -0.415828D+00  0.108235D+01
      2  -0.276526D+01 -0.152401D+01 -0.488813D+00 -0.243861D+00 -0.285952D+01
      3   0.100886D+01  0.128074D+01 -0.318101D+01 -0.463648D+00  0.151691D+01
               181           182           183           184           185 
      1   0.551483D+00 -0.392298D+01 -0.563314D+01 -0.499792D+00  0.141080D+01
      2   0.264127D+01  0.971400D+00  0.968067D+01  0.121998D+01  0.241208D+01
      3   0.157449D+02  0.547316D+01 -0.102100D+01 -0.130698D+02  0.750694D+01
               186           187           188           189           190 
      1  -0.113709D+01 -0.129120D+02  0.700254D+01 -0.263207D+01 -0.209090D+01
      2   0.351389D+01 -0.148238D+01  0.112577D+02  0.906203D-01  0.111544D+02
      3  -0.194259D+01  0.163331D+01 -0.936621D+00  0.433409D+00  0.212473D+02
               191           192           193           194           195 
      1  -0.498826D+01  0.184010D+01 -0.419917D+01 -0.119660D+01  0.325215D+01
      2   0.425148D+01  0.218832D+01  0.524540D+01  0.151831D+01 -0.450499D+00
      3   0.224044D+02 -0.860430D+00  0.421097D+02  0.657406D+01  0.258727D+01
               196           197           198           199           200 
      1   0.424132D+00  0.135866D+02 -0.163608D+01  0.277903D+00  0.499174D+01
      2   0.315305D+01 -0.397711D+01  0.248188D+01 -0.868155D+01 -0.587701D+01
      3  -0.315190D+01  0.283927D+01 -0.853870D+00  0.252918D+01 -0.454229D+02
               201           202           203           204           205 
      1  -0.666052D+00  0.153585D+01  0.169167D+01 -0.333381D+01  0.513127D+01
      2   0.235636D+01 -0.559960D+01 -0.409151D+01 -0.506795D+01 -0.198879D+02
      3   0.404240D+01 -0.463315D+01 -0.947812D+01  0.190211D+01  0.232144D+01
               206           207           208           209           210 
      1   0.100226D+01  0.872258D+00  0.155273D+01  0.408265D+01 -0.152555D+01
      2  -0.167909D+02  0.191699D+01 -0.390011D+01 -0.365503D+01  0.138436D+02
      3   0.211081D+00  0.943577D+01 -0.868633D+01 -0.402374D+02  0.178694D+01
               211           212           213           214           215 
      1  -0.604438D+00 -0.153822D+01 -0.423915D+01 -0.227144D+01 -0.130504D+01
      2  -0.362473D+00  0.270946D+01  0.486251D+01 -0.637132D+01 -0.180211D+01
      3   0.637837D+00  0.148063D+02 -0.199104D+01 -0.545912D+00 -0.464470D+01
               216           217           218           219           220 
      1   0.246900D+00  0.673408D+00 -0.155106D+01  0.134036D+01 -0.878041D+00
      2   0.561973D+00 -0.145605D+00  0.421365D+01 -0.699107D+01  0.476784D+01
      3   0.324331D+01 -0.290684D+02  0.139387D+02 -0.555171D+01  0.283172D+02
               221           222           223           224           225 
      1  -0.543964D+00  0.279968D+01  0.102393D+02  0.458179D+01 -0.146180D+01
      2  -0.580854D+01 -0.382145D+02 -0.226193D+02 -0.282722D+02  0.744598D+01
      3   0.200896D+02  0.768571D+01 -0.476949D+01  0.581682D+01  0.287267D+02
               226           227           228           229           230 
      1   0.157897D+00 -0.155659D+00  0.889251D+00  0.273210D-01 -0.642652D+00
      2  -0.745649D+00  0.821528D+00  0.171751D+00  0.427530D+00 -0.215910D+01
      3  -0.620023D+01  0.421704D+01 -0.963513D+00  0.425138D+01 -0.202683D+02
               231           232           233           234           235 
      1  -0.458062D+01 -0.197541D+00  0.286644D+01  0.213651D+00 -0.868487D+00
      2   0.102902D+01 -0.187839D+00 -0.360803D+00  0.769261D-01  0.186846D+01
      3   0.226014D+01 -0.102080D+01  0.305698D+01  0.333679D+00  0.192054D+01
               236           237           238           239           240 
      1  -0.403986D+00 -0.177402D+01 -0.600399D-01 -0.112456D+00 -0.238442D+01
      2   0.433500D+00  0.211109D+01  0.333905D-01  0.811247D-01  0.302342D+01
      3  -0.476830D+01  0.415253D+00 -0.431460D+01 -0.107274D+02  0.204521D+00
               241           242           243           244           245 
      1   0.231076D+01  0.926352D+00  0.258005D+00  0.996251D-01 -0.227448D+00
      2  -0.325289D+01  0.225601D-01 -0.631706D+00  0.589219D+00 -0.661258D+00
      3   0.109517D+01  0.737836D+00 -0.979256D+00  0.376514D+01 -0.254039D+01
               246           247           248           249           250 
      1   0.970427D+00 -0.310728D+00  0.529429D-01 -0.407250D+01 -0.169599D+00
      2   0.123185D+01 -0.701316D+00  0.267120D+01 -0.323266D+01 -0.193786D+01
      3   0.526037D+00 -0.149246D+01  0.208636D+02 -0.231530D+01  0.732656D+00
               251           252           253           254           255 
      1   0.192512D+01  0.363622D+00 -0.259909D+00  0.185798D+00 -0.124578D+00
      2   0.162475D+00  0.267639D+00 -0.971266D+01 -0.271300D+01  0.329935D+01
      3  -0.245453D+01 -0.101015D+00 -0.380841D+01 -0.262002D+01  0.250522D+01
               256           257           258           259           260 
      1   0.121477D+01  0.749005D+00 -0.270832D+01 -0.292636D+01  0.990856D+00
      2  -0.702840D+01 -0.901080D+01  0.160219D+02  0.167018D+02  0.150726D+02
      3  -0.102177D+02 -0.157196D+02  0.940419D+01  0.829898D+01  0.133938D+02
               261           262           263           264           265 
      1   0.412032D+01  0.775732D+00 -0.300340D-01  0.620566D+00 -0.202869D+00
      2  -0.318517D+02  0.645649D+01  0.113550D+00 -0.142578D+00  0.582686D+01
      3  -0.154240D+02 -0.215875D+01 -0.106779D+01 -0.457771D-01 -0.121260D+02
               266           267           268           269           270 
      1   0.114418D+01 -0.231282D+01 -0.147763D+01  0.189808D+01 -0.245967D+01
      2   0.128647D+02  0.185626D+02  0.122632D+02  0.165936D+02  0.249855D+02
      3  -0.235340D+02 -0.146719D+02 -0.681440D+01 -0.164581D+02 -0.177274D+02
               271           272           273           274           275 
      1  -0.107080D+01  0.812632D+00  0.411371D+00  0.739801D+00 -0.756519D+00
      2   0.380773D+01 -0.126128D+01  0.910035D+01 -0.218577D+01  0.171852D+01
      3   0.223568D+02 -0.135386D+02  0.238511D+01 -0.163284D+02  0.138030D+02
               276           277           278           279 
      1  -0.971826D+00 -0.881641D+00  0.487846D+00  0.762633D-01
      2  -0.371632D+01  0.838769D+01 -0.189901D-01  0.207799D+01
      3  -0.254914D+01  0.275255D+01 -0.262612D+01  0.706707D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.904443D+02 -0.410092D+02 -0.740573D+00  0.945188D+02 -0.741952D+01
      2   0.457891D+02  0.233462D+02  0.511882D+00 -0.430062D+02  0.109077D+02
      3   0.446552D+02  0.176630D+02  0.228692D+00 -0.515126D+02 -0.348822D+01
      4  -0.339167D+02  0.392028D+01 -0.247668D+01 -0.287850D+01  0.902634D+01
      5   0.278563D+01 -0.203034D+01 -0.242978D+00 -0.441751D+01 -0.325234D+01
      6   0.310424D+00  0.125958D+01 -0.258494D+00 -0.391302D+01 -0.296318D+01
                 6             7             8             9            10 
      1   0.628404D+01 -0.183948D+02 -0.343330D+01 -0.117789D+02  0.625056D+02
      2  -0.454392D+01  0.801762D+01  0.184681D+01 -0.267614D+00 -0.165652D+02
      3  -0.174012D+01  0.103772D+02  0.158649D+01  0.120465D+02 -0.459405D+02
      4  -0.139220D+01 -0.231472D+01 -0.730278D+00 -0.955464D-01  0.113300D+01
      5  -0.691474D+00  0.219225D+01  0.152896D+01 -0.160906D+01  0.131896D+01
      6  -0.245297D+00 -0.287248D+01  0.435377D+01  0.142867D+00 -0.597949D+01
                11            12            13            14            15 
      1  -0.109682D+02  0.716118D+01 -0.114457D+03 -0.215077D+02 -0.686729D+01
      2   0.877125D+01 -0.186341D+01  0.515482D+02  0.189326D+02  0.119269D+01
      3   0.219695D+01 -0.529777D+01  0.629092D+02  0.257518D+01  0.567460D+01
      4  -0.201948D+01 -0.419247D+00 -0.185653D+02 -0.136717D+02  0.329882D+00
      5  -0.296743D+01 -0.896938D+01  0.605537D+01  0.248444D+01  0.696988D+00
      6  -0.103423D+01 -0.234461D+00  0.255541D+01  0.381722D+00 -0.171853D+01
                16            17            18            19            20 
      1   0.182115D+02  0.647559D+00 -0.788426D+01  0.636320D+02  0.438456D+02
      2  -0.687572D+01 -0.870216D+00 -0.140409D+01 -0.277410D+02 -0.275215D+02
      3  -0.113357D+02  0.222658D+00  0.928835D+01 -0.358910D+02 -0.163241D+02
      4   0.239622D+01  0.463158D+00 -0.249907D+01  0.358781D+02 -0.964314D+01
      5  -0.108253D+01 -0.239872D+01 -0.199280D+01 -0.678680D+01  0.167728D+01
      6  -0.240117D+01  0.408442D+01  0.105087D+01 -0.278934D+01 -0.511279D+01
                21            22            23            24            25 
      1   0.326079D+01 -0.132514D+02  0.192656D+02 -0.146236D+01  0.801724D+01
      2  -0.705594D+00  0.203462D+02 -0.249508D+02  0.478721D+01 -0.465249D+01
      3  -0.255519D+01 -0.709478D+01  0.568520D+01 -0.332485D+01 -0.336475D+01
      4   0.278560D+01  0.150966D+02  0.153979D+01 -0.146424D+01  0.356235D+01
      5  -0.572696D+01 -0.242986D+01 -0.278268D+01 -0.739896D+01  0.926660D+01
      6   0.886142D+00 -0.441866D+01  0.399210D+01  0.561178D+01 -0.137731D+01
                26            27            28            29            30 
      1   0.459766D+01 -0.129383D+02  0.178589D+01 -0.135381D+01 -0.412887D+01
      2   0.322565D+01 -0.879143D+00 -0.212504D+02  0.123175D+01  0.235555D+00
      3  -0.782332D+01  0.138174D+02  0.194646D+02  0.122068D+00  0.389331D+01
      4  -0.306287D+01 -0.508587D+01 -0.192929D+02  0.110118D+02 -0.638833D+00
      5  -0.871480D+01 -0.472216D-01  0.102967D+02  0.192112D+01  0.954644D+01
      6   0.125721D+02 -0.294323D+01  0.606237D+01  0.271815D+01 -0.245598D+01
                31            32            33            34            35 
      1  -0.483842D+02 -0.576696D+02  0.527270D+01 -0.149687D+01  0.409232D+01
      2   0.392622D+02  0.507379D+02 -0.628568D+01 -0.400200D+01 -0.520063D+01
      3   0.912206D+01  0.693163D+01  0.101298D+01  0.549887D+01  0.110831D+01
      4  -0.315864D+02  0.288949D+01 -0.167279D+01  0.569501D+01 -0.387201D+00
      5   0.588847D+01 -0.130403D+01  0.369341D+01  0.320485D+02  0.420996D+01
      6  -0.491629D+01  0.161071D+01 -0.382991D+01 -0.406711D+01  0.290970D+01
                36            37            38            39            40 
      1  -0.909377D+00 -0.191502D+02 -0.589383D+02  0.240764D+01  0.396241D+02
      2  -0.101388D+02  0.105104D+02  0.451192D+02 -0.177612D+01 -0.406105D+02
      3   0.110482D+02  0.863984D+01  0.138190D+02 -0.631526D+00  0.986364D+00
      4  -0.192936D+01 -0.959830D+01 -0.270639D+01 -0.752105D+00  0.100507D+02
      5   0.738060D+00  0.179628D+01 -0.382365D+01  0.814775D+01  0.354251D+01
      6   0.203484D+01 -0.348639D+01  0.326494D+01  0.103439D+02  0.894632D+01
                41            42            43            44            45 
      1   0.359357D+02 -0.417782D+01 -0.890117D+01 -0.118240D+02 -0.928766D+01
      2  -0.328403D+02  0.144147D+01  0.735067D+01  0.824567D+01 -0.108274D+01
      3  -0.309535D+01  0.273635D+01  0.155050D+01  0.357832D+01  0.103704D+02
      4  -0.154910D+02  0.392884D+01 -0.226849D+01  0.234097D+01  0.875446D+01
      5   0.550842D+01  0.501518D+01  0.174936D+02  0.501281D+01  0.628287D+00
      6  -0.107160D+01  0.157425D+01  0.185026D+02  0.796974D+01  0.514432D+01
                46            47            48            49            50 
      1   0.319837D+02  0.432214D+02  0.166773D+01 -0.972134D+01  0.352823D+00
      2  -0.248765D+02 -0.337568D+02 -0.508944D+00  0.662337D+01 -0.116164D+02
      3  -0.710718D+01 -0.946460D+01 -0.115878D+01  0.309796D+01  0.112636D+02
      4   0.298440D+01 -0.750316D+01  0.109072D+01  0.813507D+01  0.918606D+01
      5  -0.461877D+01  0.372832D+01 -0.235717D+01 -0.189680D+00 -0.637561D+00
      6   0.406822D+01 -0.557344D+01 -0.711326D+01 -0.193929D-01  0.755811D+01
                51            52            53            54            55 
      1  -0.398191D+01  0.592937D+01 -0.128726D+01 -0.223280D+02  0.207026D+02
      2   0.434984D+01 -0.481156D+01  0.413858D+01  0.107186D+02 -0.175819D+02
      3  -0.367938D+00 -0.111780D+01 -0.285132D+01  0.116094D+02 -0.312071D+01
      4  -0.114484D+01  0.111639D+00 -0.388406D+01 -0.189451D+01  0.237545D+02
      5   0.623619D-01  0.408593D+01  0.142052D+01 -0.234214D+01  0.302032D+01
      6   0.860919D+01 -0.312260D+01  0.230750D+02 -0.195183D+01  0.296047D+01
                56            57            58            59            60 
      1   0.542650D+02 -0.140451D+01  0.711116D+01  0.202157D+02 -0.447541D+01
      2  -0.357779D+02 -0.440146D+00 -0.121816D+01 -0.213525D+02  0.574129D+01
      3  -0.184872D+02  0.184466D+01 -0.589300D+01  0.113681D+01 -0.126588D+01
      4  -0.428693D+02  0.441273D+01  0.283868D+02  0.168524D+02  0.163988D+01
      5   0.575413D+01 -0.139604D+02 -0.310265D+01  0.794631D+00  0.579055D+01
      6  -0.184078D+01 -0.846682D+01 -0.329917D+00  0.608007D+01  0.807100D+01
                61            62            63            64            65 
      1   0.250773D+01 -0.142682D+01 -0.213603D+02 -0.107148D+01  0.277860D+01
      2  -0.170035D+01  0.665788D+01  0.790595D+01  0.396989D+01 -0.409328D+01
      3  -0.807378D+00 -0.523107D+01  0.134544D+02 -0.289842D+01  0.131468D+01
      4  -0.233133D+01 -0.379073D+01  0.148666D+02 -0.514307D+01  0.976282D+01
      5   0.179213D+01  0.174064D+02 -0.783788D+01  0.107197D+01 -0.171949D+01
      6   0.198172D+01  0.217164D+02 -0.454419D+01 -0.186299D+01  0.172264D+01
                66            67            68            69            70 
      1  -0.471747D+00  0.746921D+01 -0.317426D+02  0.480640D+01 -0.105554D+00
      2   0.319517D+00 -0.102352D+02  0.385194D+02 -0.369567D+01  0.370266D+00
      3   0.152230D+00  0.276602D+01 -0.677680D+01 -0.111073D+01 -0.264712D+00
      4  -0.134470D+01  0.103410D+02 -0.183481D+02  0.238218D+01 -0.157452D+01
      5   0.150305D+01 -0.182529D+01  0.158044D+01 -0.226025D+01  0.257740D+00
      6  -0.107439D+01  0.295561D+01 -0.960607D+01  0.693336D+01 -0.180166D+01
                71            72            73            74            75 
      1   0.346915D+01 -0.348191D+01  0.924957D+01 -0.497384D+00 -0.184661D+00
      2  -0.392901D+01  0.342950D+01  0.163160D+01  0.779901D+01 -0.152993D+00
      3   0.459862D+00  0.524029D-01 -0.108812D+02 -0.730163D+01  0.337654D+00
      4   0.280192D+01 -0.771124D+00  0.257203D+02  0.191628D+02  0.663920D-02
      5   0.893206D-01  0.571288D+00  0.130652D+01  0.427560D+00  0.415625D+01
      6   0.324885D+01 -0.188067D+01  0.159827D+01  0.872973D+00  0.243118D+01
                76            77            78            79            80 
      1  -0.229992D+01 -0.851425D+01  0.192461D+00  0.848378D+00  0.784162D+00
      2   0.120238D+02  0.181588D+02 -0.365566D+00 -0.110288D+01 -0.112011D+01
      3  -0.972391D+01 -0.964457D+01  0.173104D+00  0.254503D+00  0.335949D+00
      4   0.251779D+02  0.251299D+02 -0.369423D+00 -0.121196D+01 -0.139136D+01
      5   0.508721D+00 -0.723872D-01  0.365090D+01 -0.889587D+00  0.180570D+01
      6   0.827422D+00  0.135254D+01  0.418566D+01 -0.118243D+01  0.199432D+01
                81            82            83            84            85 
      1   0.114527D+00 -0.420148D+01  0.685033D+01 -0.124907D+01  0.319568D+01
      2   0.782542D+00  0.643869D+01 -0.933804D+01  0.115039D+01 -0.372077D+01
      3  -0.897070D+00 -0.223720D+01  0.248771D+01  0.986820D-01  0.525090D+00
      4   0.186210D+01 -0.272174D+01  0.109965D+02 -0.932572D+00  0.649720D+01
      5  -0.825362D+00 -0.345854D+00 -0.649916D-01  0.170930D+01 -0.194276D+00
      6  -0.618499D+00 -0.489307D+00  0.123401D+01 -0.130109D+01  0.106090D+00
                86            87            88            89            90 
      1  -0.522782D+02  0.521974D+01 -0.117410D+01  0.669559D+01 -0.243472D+01
      2   0.695849D+02 -0.579242D+01  0.119148D+01 -0.810157D+01  0.277203D+01
      3  -0.173067D+02  0.572683D+00 -0.173740D-01  0.140598D+01 -0.337309D+00
      4  -0.868881D+01  0.554393D+00 -0.799602D+00  0.148650D+01 -0.143178D+01
      5  -0.179619D+01 -0.353409D+00  0.755410D+00 -0.105746D+01  0.433009D+00
      6  -0.448007D+01  0.789423D+01  0.565558D+00  0.298825D+01 -0.166737D+01
                91            92            93            94            95 
      1  -0.108256D+02 -0.598556D+01  0.100247D+02 -0.866860D+01  0.139199D+02
      2   0.190068D+02  0.623675D+01  0.149504D+01  0.117077D+02 -0.192112D+02
      3  -0.818124D+01 -0.251188D+00 -0.115197D+02 -0.303908D+01  0.529129D+01
      4  -0.295873D+01  0.101302D+01 -0.476783D+01 -0.277940D+01  0.377441D+02
      5  -0.188556D+01 -0.620614D+01 -0.248475D+02 -0.205228D+02 -0.443455D+01
      6  -0.576928D+01 -0.238326D+01 -0.102261D+01 -0.617672D-01  0.899065D+01
                96            97            98            99           100 
      1  -0.117061D+02  0.367881D+01 -0.574930D+01 -0.250533D+02 -0.596536D+02
      2   0.137646D+02  0.498119D+01  0.556036D+01  0.188395D+02  0.327381D+02
      3  -0.205857D+01 -0.866000D+01  0.188938D+00  0.621375D+01  0.269155D+02
      4  -0.416458D+01 -0.108912D+02 -0.503312D+01 -0.438971D+01  0.270379D+02
      5  -0.632760D+01 -0.603583D+02 -0.740279D+01 -0.456340D+01 -0.323821D+02
      6  -0.947098D+00 -0.616001D+00 -0.992917D+00 -0.480863D+01  0.131872D+02
               101           102           103           104           105 
      1   0.194239D+02 -0.318653D+02  0.346613D+02  0.788983D+00 -0.253353D+00
      2  -0.102997D+02  0.112497D+01 -0.258541D+02 -0.722139D+01 -0.108606D+02
      3  -0.912422D+01  0.307403D+02 -0.880718D+01  0.643241D+01  0.111140D+02
      4  -0.968377D+00  0.425684D+01 -0.424997D+01 -0.406464D+02 -0.146113D+01
      5   0.917931D+01  0.203021D+02  0.232508D+02 -0.245569D+00  0.183556D+02
      6   0.350111D-01  0.760808D+00  0.775997D-01 -0.176240D+02  0.223150D+00
               106           107           108           109           110 
      1  -0.621463D+01 -0.284596D+01  0.379051D+02 -0.102994D+03 -0.140513D+02
      2  -0.140380D+02 -0.517457D+01 -0.122926D+02  0.462616D+02  0.240776D+01
      3   0.202526D+02  0.802054D+01 -0.256125D+02  0.567324D+02  0.116435D+02
      4   0.622473D+01  0.223608D+01  0.151490D+02 -0.212953D+02 -0.174937D+02
      5   0.423236D+02  0.149076D+02  0.142755D+02  0.196636D+02  0.804968D+01
      6   0.435700D+01  0.187661D+01  0.116985D+02  0.654608D+01  0.184548D+01
               111           112           113           114           115 
      1   0.981147D+01 -0.252097D+02 -0.111442D+02  0.689865D+01 -0.215344D+02
      2  -0.470927D+01  0.691177D+01  0.113226D+02 -0.340023D+01  0.165982D+02
      3  -0.510220D+01  0.182980D+02 -0.178399D+00 -0.349842D+01  0.493620D+01
      4   0.563320D+01  0.167051D+01 -0.175990D+02  0.563221D+00  0.628320D+01
      5  -0.351176D+01  0.141811D+02  0.230019D+01 -0.212631D+01  0.263083D+02
      6  -0.309141D+01  0.253402D+01  0.124078D+01  0.924755D+00  0.833331D+00
               116           117           118           119           120 
      1   0.584284D+01  0.258525D+02 -0.699170D+01 -0.620892D+01 -0.596364D+00
      2  -0.265531D+01 -0.668838D+01  0.837995D+01  0.248828D+01  0.267773D+00
      3  -0.318752D+01 -0.191642D+02 -0.138825D+01  0.372065D+01  0.328591D+00
      4  -0.124202D+01  0.248747D+01 -0.849850D+01  0.731568D+01 -0.550264D+00
      5   0.334141D+01 -0.759549D+01  0.285432D+00 -0.102487D+01  0.702227D+01
      6  -0.455116D+01 -0.345381D+01 -0.227558D+01  0.772538D+00 -0.268189D+00
               121           122           123           124           125 
      1  -0.909560D+01 -0.174062D+02  0.536132D+01 -0.155603D+01  0.214139D+01
      2   0.341394D+00  0.294776D+02 -0.423786D+01  0.119297D+01 -0.808148D+00
      3   0.875421D+01 -0.120714D+02 -0.112346D+01  0.363065D+00 -0.133324D+01
      4   0.161674D+02 -0.455688D+02  0.550843D+01 -0.542229D+00  0.469992D+01
      5  -0.118236D+01  0.526926D+01 -0.110805D+02  0.936259D+01 -0.567714D+01
      6   0.214137D+01 -0.104105D+02  0.627364D+01 -0.185297D+01  0.648470D+01
               126           127           128           129           130 
      1  -0.502033D+00  0.104794D+03 -0.135473D+02  0.202756D+02 -0.248625D+02
      2   0.300560D+00 -0.629911D+02  0.692593D+01 -0.174158D+02  0.143720D+02
      3   0.201472D+00 -0.418029D+02  0.662134D+01 -0.285979D+01  0.104905D+02
      4  -0.606845D+01 -0.201754D+02  0.158498D+02 -0.406306D+01  0.198523D+02
      5   0.485068D+01  0.602633D+02 -0.673253D+01  0.287145D+02 -0.173443D+02
      6  -0.224300D+01 -0.800577D+01  0.633814D+01 -0.196715D+01  0.723569D+01
               131           132           133           134           135 
      1   0.108882D+02 -0.379123D+01  0.100785D+02 -0.564492D+00  0.648965D+01
      2  -0.407980D+01  0.526052D+01 -0.917913D+01  0.169369D+01 -0.748737D+01
      3  -0.680838D+01 -0.146929D+01 -0.899387D+00 -0.112920D+01  0.997728D+00
      4  -0.527839D+01  0.470855D+01 -0.243868D+01  0.178512D+01 -0.440204D+01
      5   0.681443D+01 -0.106848D+02  0.175734D+02 -0.450104D+01  0.838345D+01
      6  -0.183306D+01  0.314759D+01 -0.234474D+01  0.154935D+01 -0.198334D+01
               136           137           138           139           140 
      1  -0.651788D+01 -0.470222D+01  0.232854D+02 -0.675210D+01 -0.682096D+01
      2  -0.684784D+00  0.136368D+01  0.229778D+01  0.441229D+01  0.138766D+01
      3   0.720266D+01  0.333854D+01 -0.255832D+02  0.233981D+01  0.543330D+01
      4  -0.345309D+01 -0.315353D+01  0.141780D+01  0.168455D+01 -0.430397D+00
      5   0.920803D+00 -0.755263D+00 -0.127318D+02 -0.485101D+01  0.524806D+01
      6  -0.238091D+01 -0.376441D+01  0.247777D+01 -0.669438D-01 -0.264657D+01
               141           142           143           144           145 
      1   0.773258D+01  0.110376D+02  0.431803D+01 -0.403295D+02  0.979716D+01
      2   0.292125D+01 -0.365453D+01  0.151497D+01 -0.141689D+02 -0.329837D+01
      3  -0.106538D+02 -0.738304D+01 -0.583300D+01  0.544984D+02 -0.649879D+01
      4   0.710909D+01 -0.208561D+00  0.679511D+01 -0.737998D+01  0.615780D+01
      5  -0.111941D+02  0.535899D+01 -0.505435D+01  0.399353D+02  0.510211D+01
      6   0.871005D+01 -0.295970D+00  0.741754D+01 -0.724996D+01  0.194093D+01
               146           147           148           149           150 
      1   0.519179D+01  0.453005D+01  0.121811D+02 -0.448997D+01 -0.159669D+01
      2  -0.184896D+01 -0.748446D+00 -0.608956D+01  0.140132D+02 -0.281761D+01
      3  -0.334283D+01 -0.378160D+01 -0.609158D+01 -0.952322D+01  0.441430D+01
      4   0.722128D+01  0.555012D+00  0.149902D+02  0.512195D+02  0.900677D+01
      5   0.197610D+01 -0.232770D+00  0.115924D+02  0.929577D+01  0.138901D+02
      6   0.194560D+01  0.164950D+00  0.557851D+01  0.244173D+02  0.811544D+01
               151           152           153           154           155 
      1  -0.389754D+00 -0.145540D+01 -0.535961D+01  0.203966D+03  0.222926D+02
      2   0.104918D+01 -0.886618D+00  0.155761D+01 -0.983028D+02 -0.852144D+01
      3  -0.659430D+00  0.234201D+01  0.380200D+01 -0.105664D+03 -0.137712D+02
      4   0.361032D+00  0.526605D+00  0.415644D+01  0.226049D+02  0.354505D+02
      5  -0.458839D+00  0.416961D+01  0.558771D+00 -0.390991D+02 -0.493896D+01
      6   0.867121D+00  0.450823D+01  0.170133D+01 -0.500430D+01 -0.524861D+01
               156           157           158           159           160 
      1  -0.107234D+02  0.330894D+02  0.339856D+02 -0.247640D+01 -0.116888D+02
      2   0.100969D+02 -0.143615D+02 -0.129723D+02  0.239950D+01  0.105365D+02
      3   0.626467D+00 -0.187279D+02 -0.210133D+02  0.768993D-01  0.115231D+01
      4  -0.203891D+01  0.475365D+02  0.257653D+02 -0.413813D+01 -0.341056D+01
      5   0.374640D+02 -0.948341D+01 -0.863979D+01  0.958082D+01  0.369108D+02
      6  -0.159022D+00 -0.937872D+01 -0.493599D+01  0.505658D+01  0.216215D+01
               161           162           163           164           165 
      1  -0.194470D+01  0.210419D+02  0.516229D+02  0.416711D+01 -0.165001D+02
      2   0.156211D+01 -0.150386D+02 -0.365633D+02 -0.134886D+01  0.102642D+02
      3   0.382595D+00 -0.600323D+01 -0.150595D+02 -0.281825D+01  0.623593D+01
      4  -0.189545D+01  0.494927D+01 -0.159033D+01  0.728043D+01  0.367716D+01
      5   0.674578D+01 -0.697673D+01 -0.356323D+02  0.150857D+01  0.182200D+02
      6   0.438887D+01 -0.167015D+01  0.707113D+00 -0.142336D+01 -0.113618D+01
               166           167           168           169           170 
      1   0.128063D+02 -0.812165D+01 -0.363526D+01  0.227941D+01 -0.298837D+01
      2  -0.672192D+01  0.283268D+01  0.242570D+01  0.139585D+01  0.614941D+00
      3  -0.608442D+01  0.528897D+01  0.120956D+01 -0.367526D+01  0.237343D+01
      4   0.381162D+01 -0.481250D+01 -0.115453D+02  0.515149D+01 -0.675414D+01
      5  -0.440058D+01 -0.111088D+02 -0.803873D+00  0.149065D+02 -0.709028D+01
      6  -0.121261D+01  0.440269D+01  0.117633D+02 -0.378467D+01  0.120115D+02
               171           172           173           174           175 
      1  -0.341047D+02 -0.507216D+02 -0.573774D+01 -0.549735D+01 -0.906736D+01
      2  -0.109626D+02  0.323965D+02  0.274695D+01 -0.512115D+01  0.549581D+01
      3   0.450673D+02  0.183250D+02  0.299079D+01  0.106185D+02  0.357155D+01
      4  -0.858734D+01  0.231404D+01 -0.475096D+01 -0.314743D+01  0.561747D+00
      5  -0.444042D+02  0.276632D+02 -0.162515D+01 -0.160021D+02  0.266631D+01
      6   0.992556D+01 -0.452813D-01  0.418025D+01  0.401348D+01  0.733870D+00
               176           177           178           179           180 
      1  -0.626504D+01 -0.227509D+01  0.110240D+02 -0.710710D+00 -0.977739D+01
      2   0.423629D+01  0.755531D+00 -0.127593D+02  0.328139D+00  0.529567D+01
      3   0.202875D+01  0.151955D+01  0.173527D+01  0.382571D+00  0.448172D+01
      4  -0.223211D+01 -0.320724D+01 -0.209814D+01  0.799133D+00  0.873149D+00
      5  -0.220886D+01 -0.217399D+01 -0.125449D+02  0.613553D+00  0.362054D+01
      6   0.246279D+01  0.359096D+01  0.333922D+01  0.831452D+00  0.113213D+00
               181           182           183           184           185 
      1   0.139917D+01 -0.543478D+02  0.350928D+01  0.955062D+02  0.269776D+02
      2   0.124093D+01  0.387754D+02 -0.151019D+00 -0.664503D+02 -0.233277D+02
      3  -0.264009D+01  0.155723D+02 -0.335826D+01 -0.290559D+02 -0.364994D+01
      4  -0.147786D+02  0.478957D+02 -0.684718D+01  0.166493D+02 -0.387468D+02
      5  -0.567523D+01 -0.907792D+01  0.207071D+02  0.570493D+01  0.772457D+01
      6  -0.403309D+01 -0.275558D+01  0.120018D+02  0.644048D+01  0.293451D+01
               186           187           188           189           190 
      1   0.328439D+01 -0.145086D+02 -0.878387D+01  0.457572D+01  0.132721D+03
      2  -0.232231D+01  0.130215D+02  0.720802D+01 -0.946624D+01 -0.675908D+02
      3  -0.962083D+00  0.148710D+01  0.157584D+01  0.489052D+01 -0.651298D+02
      4   0.845855D+01 -0.240504D+01  0.111586D+02  0.171613D+02 -0.525668D-01
      5   0.883238D+01  0.323738D+02  0.155790D+02 -0.243861D+01 -0.301209D+01
      6   0.299590D+01  0.162811D+02  0.840648D+01  0.306385D+01 -0.152553D+01
               191           192           193           194           195 
      1   0.213413D+02  0.502569D+01 -0.488942D+02 -0.229259D+02  0.161019D+01
      2  -0.103155D+02 -0.163002D+01  0.431220D+02  0.282943D+02 -0.367150D+01
      3  -0.110258D+02 -0.339567D+01  0.577221D+01 -0.536836D+01  0.206131D+01
      4   0.342646D+02 -0.256431D+01 -0.177265D+02  0.618390D+02 -0.836964D+01
      5  -0.222937D+01  0.554518D+01  0.488448D+01 -0.741653D+01 -0.728801D+00
      6  -0.256195D+01 -0.409591D+01 -0.695740D+01 -0.411204D+01 -0.468261D+01
               196           197           198           199           200 
      1   0.656188D+01  0.645603D+01  0.260887D+02 -0.114109D+03 -0.475501D+01
      2  -0.620946D+01 -0.538994D+01 -0.230538D+02  0.439456D+02 -0.216857D+01
      3  -0.352422D+00 -0.106609D+01 -0.303486D+01  0.701630D+02  0.692359D+01
      4   0.800310D+01 -0.388265D+01 -0.751849D+00 -0.618026D+01 -0.328848D+02
      5   0.534510D+02  0.413146D+01  0.417055D+01 -0.184690D+01  0.755286D+01
      6  -0.164265D+01  0.435051D+01  0.146900D+01  0.701378D+01  0.183504D+00
               201           202           203           204           205 
      1  -0.592052D+01 -0.735441D+02 -0.444783D+01 -0.609678D+01  0.186608D-01
      2   0.284236D+01  0.455597D+02 -0.111960D+02  0.585881D+01 -0.228846D+01
      3   0.307816D+01  0.279844D+02  0.156438D+02  0.237975D+00  0.226980D+01
      4   0.558739D+01  0.244179D+01 -0.205964D+02 -0.194834D+01  0.187575D+01
      5   0.256205D+01 -0.186444D+01 -0.282010D+01 -0.109451D+02  0.201553D+01
      6   0.604978D+00 -0.138587D+01  0.642693D+01  0.639927D+01 -0.241387D+01
               206           207           208           209           210 
      1   0.463081D+00 -0.217063D+02 -0.110146D+02 -0.301679D+02 -0.153658D+01
      2   0.395697D+01  0.366445D+01  0.368792D+01  0.155404D+02 -0.907451D+00
      3  -0.442005D+01  0.180419D+02  0.732669D+01  0.146275D+02  0.244403D+01
      4  -0.774717D+01 -0.234849D+02 -0.251463D+02  0.893068D+01  0.554146D-01
      5  -0.257033D+02  0.348929D+01  0.271186D+01  0.469777D+00  0.270968D+02
      6   0.169236D+02 -0.108269D+01  0.101247D+00  0.219301D+01  0.348607D+01
               211           212           213           214           215 
      1   0.271318D+01  0.117797D+02 -0.235322D+01 -0.175355D+01 -0.304452D+01
      2  -0.670868D+01 -0.288382D+01  0.196541D+01 -0.136697D+00  0.245605D+01
      3   0.399550D+01 -0.889587D+01  0.387811D+00  0.189025D+01  0.588478D+00
      4   0.369184D+02 -0.200751D+02  0.454146D+01 -0.452995D+01  0.127325D+01
      5  -0.523064D+01  0.277286D+01  0.796962D+01  0.792273D+01 -0.569927D+01
      6   0.183735D+01 -0.450827D+00  0.749032D+01 -0.320640D+01  0.435767D+01
               216           217           218           219           220 
      1   0.191015D+00 -0.284330D+02  0.536442D+02 -0.504528D+01  0.519020D+02
      2   0.817765D+00  0.166157D+02 -0.276055D+02  0.307560D+01 -0.227971D+02
      3  -0.100878D+01  0.118173D+02 -0.260387D+02  0.196967D+01 -0.291050D+02
      4  -0.661754D+01  0.533990D+02 -0.760704D+01  0.792807D+01 -0.384304D+02
      5   0.334968D+01 -0.614849D+01  0.821733D+01 -0.187797D+02  0.122774D+02
      6  -0.168345D+01  0.323141D+01 -0.205571D+00 -0.244086D+01 -0.290639D+01
               221           222           223           224           225 
      1  -0.141405D+02  0.156652D+02 -0.246989D+01  0.124775D+02 -0.121049D+02
      2   0.832446D+01 -0.679518D+01 -0.656512D-01 -0.597789D+01  0.716392D+01
      3   0.581607D+01 -0.887005D+01  0.253554D+01 -0.649958D+01  0.494099D+01
      4  -0.193010D+02 -0.135496D+02  0.102324D+02 -0.925570D+01 -0.501227D+02
      5  -0.126033D+02 -0.741988D+02 -0.353947D+02 -0.514474D+02  0.149871D+02
      6  -0.373562D+01 -0.134746D+02 -0.113058D+02 -0.101317D+02 -0.133310D+01
               226           227           228           229           230 
      1  -0.419854D+01  0.125718D+02 -0.192725D+01  0.238183D+01 -0.505435D+02
      2   0.553957D+01 -0.114271D+02  0.134438D+01 -0.918574D+00  0.642415D+02
      3  -0.134104D+01 -0.114466D+01  0.582870D+00 -0.146325D+01 -0.136980D+02
      4   0.269783D+01  0.490558D+01 -0.754298D-02  0.433005D+01  0.264388D+02
      5  -0.598902D+00  0.186253D+00  0.118862D+01 -0.307117D+00 -0.521468D+01
      6  -0.101721D+01  0.194897D+01 -0.130752D+01 -0.230833D+00 -0.981200D+01
               231           232           233           234           235 
      1   0.565539D+01 -0.805253D+00  0.662616D+01 -0.213163D+01  0.378777D+02
      2  -0.537681D+01  0.486239D+00 -0.735887D+01  0.246987D+01 -0.120922D+02
      3  -0.278588D+00  0.319014D+00  0.732714D+00 -0.338241D+00 -0.257855D+02
      4  -0.311775D+01  0.195028D-01 -0.296949D+01 -0.105142D+01  0.371319D+02
      5   0.293704D+01  0.169082D+01 -0.328219D+00  0.711071D-01 -0.140457D+01
      6   0.798339D+01 -0.545485D-01  0.324546D+01 -0.162218D+01  0.477879D-01
               236           237           238           239           240 
      1   0.170758D+02  0.760958D+00  0.255504D+02  0.103563D+02  0.911792D-01
      2  -0.227333D+01 -0.340538D+00 -0.220525D+01  0.776500D+01  0.669670D-01
      3  -0.148025D+02 -0.420420D+00 -0.233451D+02 -0.181213D+02 -0.158146D+00
      4   0.261975D+02  0.163039D+00  0.391824D+02  0.379652D+02 -0.762227D+00
      5  -0.119796D+01  0.368764D+01 -0.284516D+01 -0.269537D+01  0.490546D+01
      6  -0.206486D+00  0.189274D+01 -0.130341D+01 -0.941175D+00  0.378384D+01
               241           242           243           244           245 
      1   0.228759D+00  0.132445D+00 -0.114458D+01 -0.193216D+01 -0.521808D+01
      2  -0.961780D+00 -0.682368D+00  0.102096D+01  0.540480D+01 -0.173411D+01
      3   0.733021D+00  0.549923D+00  0.123615D+00 -0.347264D+01  0.695219D+01
      4  -0.128211D+01 -0.171875D+01  0.135721D+01 -0.153550D+02  0.174579D+02
      5  -0.214535D+01  0.100562D+01 -0.540635D+00  0.121150D+01 -0.180797D+01
      6  -0.102620D+01  0.112262D+01 -0.510603D+00 -0.978439D+00  0.135798D+01
               246           247           248           249           250 
      1   0.155692D+00 -0.147099D+01 -0.207670D+02  0.249015D+01 -0.161011D+00
      2   0.223003D+00 -0.868527D+01  0.371059D+02 -0.312350D+01  0.805263D+00
      3  -0.378695D+00  0.101563D+02 -0.163389D+02  0.633348D+00 -0.644253D+00
      4  -0.256866D+01  0.245741D+02 -0.524301D+02  0.616195D+01 -0.354252D+01
      5   0.271911D+01 -0.208979D+01  0.366928D+01 -0.572635D+01  0.192431D+01
      6  -0.144975D+01  0.185975D+01 -0.530609D+01  0.695649D+01 -0.232414D+01
               251           252           253           254           255 
      1   0.169312D+01 -0.143581D+01  0.181815D+02  0.515200D+01 -0.156948D+02
      2  -0.349375D+01  0.265453D+01 -0.972179D+01 -0.223618D+01  0.771784D+01
      3   0.180063D+01 -0.121872D+01 -0.845972D+01 -0.291582D+01  0.797700D+01
      4   0.700467D+01 -0.148452D+01  0.634320D+01  0.538203D+01 -0.715112D+01
      5  -0.226148D+00  0.991777D+00 -0.185829D+02 -0.691799D+01  0.863980D+01
      6   0.269862D+01 -0.168478D+01 -0.274004D+01 -0.865986D+00  0.287650D+00
               256           257           258           259           260 
      1   0.214464D+02  0.110568D+02 -0.100703D+02 -0.514425D+02 -0.105456D+02
      2  -0.108883D+02 -0.349593D+01  0.421769D+01  0.296425D+02  0.515697D+01
      3  -0.105581D+02 -0.756086D+01  0.585256D+01  0.218000D+02  0.538867D+01
      4   0.255253D+02  0.242138D+02 -0.173736D+02 -0.208543D+02 -0.211189D+02
      5  -0.186137D+02 -0.180738D+02  0.317803D+02  0.444100D+02  0.282421D+02
      6  -0.358238D+01 -0.437569D+01  0.753946D+01  0.721008D+01  0.716365D+01
               261           262           263           264           265 
      1   0.175336D+02  0.994325D+01  0.464997D+01  0.132613D+02  0.211115D+02
      2  -0.157535D+02 -0.584914D+01 -0.212645D+01 -0.612924D+01 -0.109966D+02
      3  -0.178017D+01 -0.409411D+01 -0.252352D+01 -0.713205D+01 -0.101149D+02
      4   0.268777D+02  0.460136D+01  0.366859D+01  0.328582D+01  0.292651D+02
      5  -0.624050D+02  0.129962D+02  0.294597D+01  0.243708D+01  0.188094D+02
      6  -0.800252D+01  0.241641D+01  0.108655D+00 -0.483051D+00  0.673413D+01
               266           267           268           269           270 
      1   0.812893D+01  0.410679D+01  0.366951D+02  0.324581D+01  0.815106D+01
      2  -0.124213D+01 -0.285577D+01 -0.215326D+02 -0.268123D+01 -0.123059D+02
      3  -0.688680D+01 -0.125102D+01 -0.151624D+02 -0.564575D+00  0.415483D+01
      4   0.374285D+02  0.273034D+02  0.181908D+02  0.269726D+02  0.312770D+02
      5   0.268539D+02  0.372036D+02  0.360142D+02  0.316516D+02  0.487296D+02
      6   0.998463D+01  0.108326D+02  0.845120D+01  0.102849D+02  0.114313D+02
               271           272           273           274           275 
      1   0.168251D+03 -0.388933D+02  0.139448D+02 -0.796340D+02  0.293861D+02
      2  -0.865251D+02  0.195958D+02 -0.816502D+01  0.398311D+02 -0.131186D+02
      3  -0.817259D+02  0.192975D+02 -0.577982D+01  0.398029D+02 -0.162675D+02
      4  -0.465342D+02  0.236626D+02 -0.432615D+01  0.394856D+02 -0.282543D+02
      5   0.173021D+02 -0.421539D+01  0.181993D+02 -0.846746D+01  0.499029D+01
      6  -0.180870D+01  0.995025D+00 -0.102531D+01  0.181680D+01 -0.127215D+01
               276           277           278           279 
      1  -0.695798D+01  0.176820D+02 -0.458437D+01  0.166388D+02
      2   0.400789D+01 -0.104666D+02  0.265753D+01 -0.987381D+01
      3   0.295009D+01 -0.721542D+01  0.192684D+01 -0.676502D+01
      4   0.518122D+01 -0.540334D+01  0.452022D+01 -0.172387D+01
      5  -0.766995D+01  0.245511D+02 -0.149336D+01  0.549145D+01
      6   0.243774D+01 -0.179123D+01  0.289179D+01 -0.582784D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.201357D+03      0.298381D+02      0.331993D+02
   aniso      0.174444D+03      0.258499D+02      0.287619D+02
   xx         0.312116D+03      0.462508D+02      0.514609D+02
   yx         0.150671D+02      0.223272D+01      0.248423D+01
   yy         0.169750D+03      0.251544D+02      0.279880D+02
   zx         0.116968D+02      0.173329D+01      0.192855D+01
   zy        -0.374116D+01     -0.554383D+00     -0.616834D+00
   zz         0.122206D+03      0.181090D+02      0.201490D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.201357D+03      0.298381D+02      0.331993D+02
   aniso      0.174444D+03      0.258499D+02      0.287619D+02
   xx         0.154103D+03      0.228358D+02      0.254082D+02
   yx        -0.224454D+02     -0.332607D+01     -0.370075D+01
   yy         0.162335D+03      0.240555D+02      0.267654D+02
   zx        -0.630532D+02     -0.934352D+01     -0.103961D+02
   zy         0.802104D+01      0.118860D+01      0.132249D+01
   zz         0.287634D+03      0.426229D+02      0.474244D+02

 ----------------------------------------------------------------------
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 YOU KNOW YOU'VE SPOKEN TOO LONG WHEN THE AUDIENCE STOPS LOOKING AT
 THEIR WATCHES AND STARTS SHAKING THEM.
 Job cpu time:       1 days 15 hours 45 minutes 49.9 seconds.
 Elapsed time:       0 days  4 hours 58 minutes 38.4 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 15:45:48 2021.
